Cas no 41894-76-2 (Bicyclo4.1.0heptane-7-carboxylic Acid)

Bicyclo4.1.0heptane-7-carboxylic Acid structure
41894-76-2 structure
Product Name:Bicyclo4.1.0heptane-7-carboxylic Acid
CAS No:41894-76-2
MF:C8H12O2
MW:140.179682731628
MDL:MFCD00095180
CID:927500
PubChem ID:291120
Update Time:2025-05-26

Bicyclo4.1.0heptane-7-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 7-norcaranecarboxylic Acid
    • (1r)-Norcaran-7c-carbonsaeure
    • (1r)-Norcaran-7t-carbonsaeure
    • ACMC-20le9k
    • AGN-PC-00LBEZ
    • bicyclo(4.4.1)undeca-1,5-diene
    • Bicyclo-[0.1.4]-heptan-carbonsaeure-(7)
    • Bicyclo[4.4.1]undeca-1,5-diene, (Z,Z)-
    • Bicyclo< 4,1,0> heptan-carbonsaeure-(7)
    • bicyclo< 4.4.1> undeca-1,6-diene
    • CTK3A5857
    • Norcaran-7-carbonsaeure
    • norcarane-7-carboxylic acid
    • bicyclo [4,1,0]heptane-7-carboxylic acid
    • NSC156902
    • DB-307643
    • NSC155664
    • AT28570
    • 41894-76-2
    • Bicyclo[4.1.0]heptane-7-carboxylic acid
    • CS-0115636
    • bicyclo[4.1.0]heptane-7-carboxylic acid, AldrichCPR
    • AKOS000302324
    • NSC 156902;
    • PS-5878
    • HMS1677G17
    • STK893495
    • DTXSID90944040
    • AKOS016042342
    • SCHEMBL301135
    • MFCD00095180
    • bicyclo[4.1.0]heptane-7-carboxylicacid
    • NSC-155664
    • NSC-156902
    • Oprea1_321218
    • EN300-95091
    • 313343-38-3
    • Bicyclo4.1.0heptane-7-carboxylic Acid
    • MDL: MFCD00095180
    • Inchi: 1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6(5)7/h5-7H,1-4H2,(H,9,10)
    • InChI Key: PNTAWGJKWLLAAW-UHFFFAOYSA-N
    • SMILES: OC(C1C2CCCCC21)=O

Computed Properties

  • Exact Mass: 140.08376
  • Monoisotopic Mass: 140.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 247.8±8.0 °C at 760 mmHg
  • Flash Point: 113.8±13.1 °C
  • PSA: 37.3
  • LogP: 1.50720
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

Bicyclo4.1.0heptane-7-carboxylic Acid Security Information

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Additional information on Bicyclo4.1.0heptane-7-carboxylic Acid

Exploring the Properties and Applications of Bicyclo[4.1.0]heptane-7-carboxylic Acid (CAS No. 41894-76-2)

Bicyclo[4.1.0]heptane-7-carboxylic Acid (CAS No. 41894-76-2) is a unique bicyclic compound that has garnered significant attention in the fields of organic chemistry and pharmaceutical research. This compound, characterized by its strained bicyclo[4.1.0]heptane framework and a carboxylic acid functional group, offers intriguing chemical properties that make it valuable for synthetic applications. Researchers are particularly interested in its potential as a building block for bioactive molecules and drug discovery, especially in the development of novel therapeutics targeting inflammation and metabolic disorders.

The structural complexity of Bicyclo[4.1.0]heptane-7-carboxylic Acid (CAS No. 41894-76-2) stems from its fused ring system, which introduces both steric and electronic challenges for synthetic chemists. Recent advancements in catalysis and green chemistry have enabled more efficient routes to synthesize this compound, addressing the growing demand for sustainable and scalable methods. Its carboxylic acid moiety also allows for versatile derivatization, making it a key intermediate in the synthesis of fine chemicals and specialty materials.

In the context of current trends, Bicyclo[4.1.0]heptane-7-carboxylic Acid (CAS No. 41894-76-2) aligns with the rising interest in small molecule therapeutics and fragment-based drug design. Its rigid scaffold is ideal for probing protein-ligand interactions, a hot topic in computational chemistry and AI-driven drug discovery. Additionally, its potential role in biodegradable polymers has sparked curiosity among material scientists, as industries seek eco-friendly alternatives to conventional plastics.

From an industrial perspective, the compound's stability and reactivity profile make it suitable for applications in flavor and fragrance formulations, where unique bicyclic structures often contribute to distinctive olfactory properties. Furthermore, its incorporation into agrochemicals has been explored, with studies highlighting its efficacy as a precursor for crop protection agents. These diverse applications underscore the compound's versatility and relevance in multiple sectors.

As research continues to uncover new uses for Bicyclo[4.1.0]heptane-7-carboxylic Acid (CAS No. 41894-76-2), its role in medicinal chemistry and material science is expected to expand. With the increasing focus on sustainable synthesis and high-value chemicals, this compound represents a compelling case study in the intersection of innovation and practicality. For researchers and industry professionals alike, understanding its properties and potential is essential for driving future breakthroughs.

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