Cas no 4397-23-3 (2-methylbicyclo[2.2.1]hept-5-ene-3-carboxylic Acid)

2-methylbicyclo[2.2.1]hept-5-ene-3-carboxylic Acid structure
4397-23-3 structure
Product Name:2-methylbicyclo[2.2.1]hept-5-ene-3-carboxylic Acid
CAS No:4397-23-3
MF:C9H12O2
MW:152.190382957458
CID:929275
PubChem ID:269494
Update Time:2025-04-19

2-methylbicyclo[2.2.1]hept-5-ene-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-methylbicyclo[2.2.1]hept-5-ene-3-carboxylic acid
    • (+-)-3exo-methyl-norborn-5-ene-2endo-carboxylic acid
    • (2-endo,3-exo)-3-methylbicyclo< 2.2.1> hept-5-ene-2-carboxylic acid
    • 3exo-chloro-tropane, hydrochloride
    • 3-exo-methylbicyclo< 2.2.1> hept-5-ene-2-endo-carbocyclic acid
    • 3-exo-methylnorborn-5-ene-2-endo-carboxylic acid
    • 3-methylbicyclo< 2.2.1> hept-5-ene-2-carboxylic acid
    • endo-carboxy-2 exo-methyl-3 bicyclo< 2.2.1> heptene-5
    • NSC360208
    • 3-Methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
    • NSC167999
    • 6-Methylbicyclo[2.2.1]hept-2-ene-5-carboxylic acid
    • NSC-167492
    • NSC-167991
    • DS-005937
    • SCHEMBL352543
    • DTXSID90963155
    • 4397-24-4
    • SSVKYZDOIWXDIO-UHFFFAOYSA-N
    • NSC-167999
    • 4397-23-3
    • NSC167991
    • 3-Methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid #
    • NSC-110658
    • 53624-84-3
    • NSC110658
    • NSC167492
    • 2-methylbicyclo[2.2.1]hept-5-ene-3-carboxylic Acid
    • Inchi: 1S/C9H12O2/c1-5-6-2-3-7(4-6)8(5)9(10)11/h2-3,5-8H,4H2,1H3,(H,10,11)
    • InChI Key: SSVKYZDOIWXDIO-UHFFFAOYSA-N
    • SMILES: OC(C1C(C)C2C=CC1C2)=O

Computed Properties

  • Exact Mass: 152.08376
  • Monoisotopic Mass: 152.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 220
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
  • LogP: 1.52920
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