Cas no 67950-96-3 (CYCLOHEPTANEACETIC ACID, 1-CARBOXY-)

CYCLOHEPTANEACETIC ACID, 1-CARBOXY- structure
67950-96-3 structure
Product Name:CYCLOHEPTANEACETIC ACID, 1-CARBOXY-
CAS No:67950-96-3
MF:C10H16O4
MW:200.231643676758
CID:3413614
PubChem ID:2807272
Update Time:2025-04-21

CYCLOHEPTANEACETIC ACID, 1-CARBOXY- Chemical and Physical Properties

Names and Identifiers

    • CYCLOHEPTANEACETIC ACID, 1-CARBOXY-
    • 67950-96-3
    • DTXSID601301512
    • 1-Carboxycycloheptaneacetic acid
    • Oprea1_510812
    • Inchi: 1S/C10H16O4/c11-8(12)7-10(9(13)14)5-3-1-2-4-6-10/h1-7H2,(H,11,12)(H,13,14)
    • InChI Key: PKADOCGFNYVGOP-UHFFFAOYSA-N
    • SMILES: C1(C(O)=O)(CC(O)=O)CCCCCC1

Computed Properties

  • Exact Mass: 200.10485899Da
  • Monoisotopic Mass: 200.10485899Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 226
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 74.6?2
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