Cas no 111138-68-2 (1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1R,2R)-)

1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1R,2R)- structure
111138-68-2 structure
Product Name:1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1R,2R)-
CAS No:111138-68-2
MF:C8H12O4
MW:172.178483009338
CID:1196757
PubChem ID:10844912
Update Time:2025-04-20

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

Names and Identifiers

    • 1,2-Cyclopentanedicarboxylic acid, monomethyl ester, (1R,2R)-
    • MFCD01311174
    • 111138-44-4
    • F31418
    • 111138-68-2
    • SCHEMBL596153
    • trans-2-Carbomethoxycyclopentane-1-carboxylic acid
    • trans-2-(methoxycarbonyl)cyclopentanecarboxylic acid
    • Trans-2-carbomethoxycyclopentane-1-carboxylicacid
    • rac-trans-cyclopentane-1,2-dicarboxylic acid monomethyl ester
    • DB-210659
    • (1R,2R)-2-(Methoxycarbonyl)cyclopentane-1-carboxylic acid
    • DTXSID40445638
    • (1R,2R)-2-methoxycarbonylcyclopentane-1-carboxylic acid
    • rac-(1R,2R)-2-(methoxycarbonyl)cyclopentane-1-carboxylic acid
    • CS-0197688
    • F50022
    • (1R,2R)-2-(Methoxycarbonyl)cyclopentanecarboxylicacid
    • KYGFHAUBFNTXFK-PHDIDXHHSA-N
    • (1R,2R)-2-(Methoxycarbonyl)cyclopentanecarboxylic acid
    • EN300-20812569
    • 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-/m1/s1
    • InChI Key： KYGFHAUBFNTXFK-PHDIDXHHSA-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, (1R,2R)- Related Literature

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