Cas no 878-14-8 (1,2-Cyclopropanedicarboxylic acid, ethyl methyl ester)

1,2-Cyclopropanedicarboxylic acid, ethyl methyl ester structure
878-14-8 structure
Product Name:1,2-Cyclopropanedicarboxylic acid, ethyl methyl ester
CAS No:878-14-8
MF:C8H12O4
MW:172.178483009338
CID:652135
Update Time:2024-01-31

1,2-Cyclopropanedicarboxylic acid, ethyl methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cyclopropanedicarboxylic acid, ethyl methyl ester
    • Aethylmethyl-1,2-cyclopropandicarboxylat
    • Inchi: 1S/C8H12O4/c1-3-12-8(10)6-4-5(6)7(9)11-2/h5-6H,3-4H2,1-2H3
    • InChI Key: PSWYXXNEDUYTHS-UHFFFAOYSA-N
    • SMILES: C1(C(OC)=O)CC1C(OCC)=O

Computed Properties

  • Exact Mass: 172.074
  • Monoisotopic Mass: 172.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 199
  • 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

Experimental Properties

  • Density: 1.187
  • Boiling Point: 227.7°C at 760 mmHg
  • Flash Point: 107.7°C
  • Refractive Index: 1.468
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