Cas no 648432-92-2 (1,2-Cyclobutanedicarboxylic acid, mono(phenylmethyl) ester, (1S,2R)-)

1,2-Cyclobutanedicarboxylic acid, mono(phenylmethyl) ester, (1S,2R)- structure
648432-92-2 structure
Product Name:1,2-Cyclobutanedicarboxylic acid, mono(phenylmethyl) ester, (1S,2R)-
CAS No:648432-92-2
MF:C13H13O4
MW:233.239924192429
CID:414635
PubChem ID:71378393
Update Time:2025-04-19

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

Names and Identifiers

    • 1,2-Cyclobutanedicarboxylic acid, mono(phenylmethyl) ester, (1S,2R)-
    • (1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
    • 648432-92-2
    • (1R,2S)-2-[(Benzyloxy)carbonyl]cyclobutane-1-carboxylatato
    • DTXSID00801014
    • Inchi: 1S/C13H14O4/c14-12(15)10-6-7-11(10)13(16)17-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)/p-1/t10-,11+/m1/s1
    • InChI Key: QPQJKZNHXUCVLC-MNOVXSKESA-M
    • SMILES: O(CC1C=CC=CC=1)C([C@H]1CC[C@H]1C(=O)[O-])=O

Computed Properties

  • Exact Mass: 233.08138389g/mol
  • Monoisotopic Mass: 233.08138389g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 288
  • 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: 2.2
  • Topological Polar Surface Area: 66.4?2
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