Cas no 56695-88-6 (Cyclopropanecarboxylic acid, 2-methyl-, methyl ester, trans-)

Cyclopropanecarboxylic acid, 2-methyl-, methyl ester, trans- structure
56695-88-6 structure
Product Name:Cyclopropanecarboxylic acid, 2-methyl-, methyl ester, trans-
CAS No:56695-88-6
MF:C6H10O2
MW:114.142402172089
CID:348094
PubChem ID:11137129
Update Time:2025-04-19

Cyclopropanecarboxylic acid, 2-methyl-, methyl ester, trans- Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylic acid, 2-methyl-, methyl ester, trans-
    • SCHEMBL18998727
    • CTK1F4030
    • DTXSID60456448
    • 56695-88-6
    • Inchi: 1S/C6H10O2/c1-4-3-5(4)6(7)8-2/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
    • InChI Key: KHHQNCNOFKTABM-RFZPGFLSSA-N
    • SMILES: O(C)C([C@@H]1C[C@H]1C)=O

Computed Properties

  • Exact Mass: 114.0681
  • Monoisotopic Mass: 114.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 109
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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