Cas no 1740-84-7 (1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, trans-)

1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, trans- structure
1740-84-7 structure
Product Name:1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, trans-
CAS No:1740-84-7
MF:C7H10O4
MW:158.151902675629
CID:1359368
PubChem ID:12302486
Update Time:2025-04-20

1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, trans- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, trans-
    • (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
    • 1701-82-2
    • AKOS006293593
    • (1R,2R)-3,3-DIMETHYLCYCLOPROPANE-1,2-DICARBOXYLIC ACID
    • 1740-84-7
    • Rel-(1R,2R)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
    • Inchi: 1S/C7H10O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
    • InChI Key: MSPJNHHBNOLHOC-IMJSIDKUSA-N
    • SMILES: OC([C@@H]1[C@@H](C(=O)O)C1(C)C)=O

Computed Properties

  • Exact Mass: 158.0579
  • Monoisotopic Mass: 158.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 197
  • 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: 0.3
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
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