Cas no 648432-93-3 (1,2-Cyclopentanedicarboxylic acid, mono(phenylmethyl) ester, (1S,2R)-)

1,2-Cyclopentanedicarboxylic acid, mono(phenylmethyl) ester, (1S,2R)- structure
648432-93-3 structure
Product Name:1,2-Cyclopentanedicarboxylic acid, mono(phenylmethyl) ester, (1S,2R)-
CAS No:648432-93-3
MF:C14H15O4
MW:247.266504526138
CID:414634
PubChem ID:71378392
Update Time:2025-04-19

1,2-Cyclopentanedicarboxylic acid, mono(phenylmethyl) ester, (1S,2R)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cyclopentanedicarboxylic acid, mono(phenylmethyl) ester, (1S,2R)-
    • (1R,2S)-2-phenylmethoxycarbonylcyclopentane-1-carboxylate
    • (1R,2S)-2-[(Benzyloxy)carbonyl]cyclopentane-1-carboxylatato
    • 648432-93-3
    • DTXSID40801013
    • Inchi: 1S/C14H16O4/c15-13(16)11-7-4-8-12(11)14(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/p-1/t11-,12+/m1/s1
    • InChI Key: UGXGXOIZHUXYBO-NEPJUHHUSA-M
    • SMILES: O(CC1C=CC=CC=1)C([C@H]1CCC[C@H]1C(=O)[O-])=O

Computed Properties

  • Exact Mass: 247.09703396g/mol
  • Monoisotopic Mass: 247.09703396g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 301
  • 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: 2.8
  • Topological Polar Surface Area: 66.4?2
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