Cas no 3033-53-2 (Cyclopentanecarboxylicacid, 2-methyl-3-oxo-)

Cyclopentanecarboxylicacid, 2-methyl-3-oxo- structure
3033-53-2 structure
Product Name:Cyclopentanecarboxylicacid, 2-methyl-3-oxo-
CAS No:3033-53-2
MF:C7H10O3
MW:142.152502536774
CID:317951
PubChem ID:349718
Update Time:2025-04-19

Cyclopentanecarboxylicacid, 2-methyl-3-oxo- Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanecarboxylicacid, 2-methyl-3-oxo-
    • 2-Methyl-3-oxo-cyclopentan-1-carbonsaeure
    • 2-Methyl-3-oxo-cyclopentancarbonsaeure
    • 2-methyl-3-oxo-cyclopentanecarboxylic acid
    • 2-Methyl-cyclopentanon-(1)-carbonsaeure-(3)
    • 2-Methyl-cyclopentanon-(3)-carbonsaeure-(1)
    • AC1L8BB9
    • AGN-PC-00OARY
    • CTK1C5758
    • Dihydrosarcomicin
    • NSC409561
    • Opt.-inakt. 2-Methyl-cyclopentanon-carbonsaeure-(3)
    • AKOS006381253
    • 3033-53-2
    • 2-methyl-3-oxocyclopentanecarboxylic acid
    • Cyclopentanecarboxylic acid, 2-methyl-3-oxo-
    • SCHEMBL16432590
    • NSC-409561
    • DTXSID00325285
    • 2-methyl-3-oxocyclopentane-1-carboxylic acid
    • NSC 409561
    • AKOS006377040
    • Dihydrosarkomycin, NSC 409561
    • Inchi： 1S/C7H10O3/c1-4-5(7(9)10)2-3-6(4)8/h4-5H,2-3H2,1H3,(H,9,10)
    • InChI Key： XFFBZNIHNHNMFL-UHFFFAOYSA-N
    • SMILES： O=C1CCC(C(=O)O)C1C

Computed Properties

  • Exact Mass: 142.063
  • Monoisotopic Mass: 142.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 0.1
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.21
  • Boiling Point: 293.6°C at 760 mmHg
  • Flash Point: 145.6°C
  • Refractive Index: 1.49
  • PSA: 54.37
  • LogP: 0.68620

Cyclopentanecarboxylicacid, 2-methyl-3-oxo- Related Literature

  • 1. Syntheses of 3-(2,4-dimethyl-5-oxocyclopent-1-enyl)propionic acid and 2-methyl-3-oxo-4-isopropylidenecyclopentanecarboxylic acid
    K. V. Narayanan,K. K. Balasubramianian,S. Chandrasekaran,S. Ramani,S. Swaminathan J. Chem. Soc. C 1971 2472

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