Cas no 7549-42-0 (calcium hydrogen cyclohexanecarboxylate)

calcium hydrogen cyclohexanecarboxylate structure
7549-42-0 structure
Product Name:calcium hydrogen cyclohexanecarboxylate
CAS No:7549-42-0
MF:C14H22CaO4
MW:294.400084018707
CID:981817
PubChem ID:165624
Update Time:2025-04-19

calcium hydrogen cyclohexanecarboxylate Chemical and Physical Properties

Names and Identifiers

    • calcium hydrogen cyclohexanecarboxylate
    • calcium,cyclohexanecarboxylic acid
    • Calcium cyclohexanecarboxylate
    • calcium dicyclohexanecarboxylate
    • Cyclohexanecarboxylic acid, calcium salt
    • 7549-42-0
    • DTXSID50996949
    • SCHEMBL4442775
    • EINECS 231-436-1
    • Inchi: 1S/2C7H12O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*6H,1-5H2,(H,8,9);/q;;+2/p-2
    • InChI Key: WUGPBVBHNMMSPD-UHFFFAOYSA-L
    • SMILES: [Ca+2].[O-]C(C1CCCCC1)=O.[O-]C(C1CCCCC1)=O

Computed Properties

  • Exact Mass: 168.04636
  • Monoisotopic Mass: 294.1144000g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 98
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.3?2

Experimental Properties

  • PSA: 37.3

calcium hydrogen cyclohexanecarboxylate Related Literature

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