Cas no 90200-07-0 (1,1-Cyclopentanedicarboxylic acid, 3-methyl-)

1,1-Cyclopentanedicarboxylic acid, 3-methyl- structure
90200-07-0 structure
Product Name:1,1-Cyclopentanedicarboxylic acid, 3-methyl-
CAS No:90200-07-0
MF:C8H12O4
MW:172.178483009338
CID:791952
PubChem ID:23143952
Update Time:2025-04-19

1,1-Cyclopentanedicarboxylic acid, 3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,1-Cyclopentanedicarboxylic acid, 3-methyl-
    • 3-methylcyclopentane-1,1-dicarboxylic acid
    • DTXSID80630960
    • SCHEMBL5476177
    • 90200-07-0
    • Inchi: 1S/C8H12O4/c1-5-2-3-8(4-5,6(9)10)7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
    • InChI Key: OJTFHAZGVLJJBM-UHFFFAOYSA-N
    • SMILES: OC(C1(C(=O)O)CCC(C)C1)=O

Computed Properties

  • Exact Mass: 172.07355886g/mol
  • Monoisotopic Mass: 172.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 74.6?2

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