Cas no 111138-48-8 (1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1S,2S)-)

1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1S,2S)- structure
111138-48-8 structure
Product Name:1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1S,2S)-
CAS No:111138-48-8
MF:C8H12O4
MW:172.178483009338
CID:1196613
PubChem ID:10631022
Update Time:2025-04-20

1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1S,2S)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1S,2S)-
    • 111138-48-8
    • starbld0028431
    • (1S,2S)-2-(Methoxycarbonyl)cyclopentane-1-carboxylate
    • Inchi: 1S/C8H12O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1
    • InChI Key: KYGFHAUBFNTXFK-WDSKDSINSA-N
    • SMILES: O(C)C([C@H]1CCC[C@@H]1C(=O)O)=O

Computed Properties

  • Exact Mass: 171.06573
  • Monoisotopic Mass: 172.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 199
  • 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: 0.6
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 66.43

1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1S,2S)- Pricemore >>

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