Cas no 139229-61-1 (Cyclopropanecarboxylic acid, 1,2-dimethyl-, ethyl ester (9CI))

Cyclopropanecarboxylic acid, 1,2-dimethyl-, ethyl ester (9CI) structure
139229-61-1 structure
Product Name:Cyclopropanecarboxylic acid, 1,2-dimethyl-, ethyl ester (9CI)
CAS No:139229-61-1
MF:C8H14O2
MW:142.195562839508
CID:1264426
PubChem ID:14996291
Update Time:2025-04-20

Cyclopropanecarboxylic acid, 1,2-dimethyl-, ethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylic acid, 1,2-dimethyl-, ethyl ester (9CI)
    • 139229-61-1
    • ethyl 1,2-dimethylcyclopropanecarboxylate
    • SCHEMBL9313180
    • YYXYTAIHKWBMGO-UHFFFAOYSA-N
    • ETHYL 1,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE
    • Inchi: 1S/C8H14O2/c1-4-10-7(9)8(3)5-6(8)2/h6H,4-5H2,1-3H3
    • InChI Key: YYXYTAIHKWBMGO-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1(C)CC1C)=O

Computed Properties

  • Exact Mass: 142.09942
  • Monoisotopic Mass: 142.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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