Cas no 85391-09-9 (2-chloro-1-methylcyclopropanecarboxylic acid)

2-chloro-1-methylcyclopropanecarboxylic acid structure
85391-09-9 structure
Product Name:2-chloro-1-methylcyclopropanecarboxylic acid
CAS No:85391-09-9
MF:C5H7ClO2
MW:134.560880899429
CID:990357
PubChem ID:3020619
Update Time:2025-04-20

2-chloro-1-methylcyclopropanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-1-methylcyclopropanecarboxylic acid
    • 2-chloro-1-methylcyclopropane-1-carboxylic acid
    • SCHEMBL11112050
    • EINECS 286-761-1
    • DTXSID801005851
    • 85391-09-9
    • NS00064002
    • UDAHHJRBNYAHSW-UHFFFAOYSA-N
    • Inchi: 1S/C5H7ClO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)
    • InChI Key: UDAHHJRBNYAHSW-UHFFFAOYSA-N
    • SMILES: ClC1CC1(C(=O)O)C

Computed Properties

  • Exact Mass: 134.013
  • Monoisotopic Mass: 134.013
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 134
  • 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: 0.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.34
  • Boiling Point: 215°C at 760 mmHg
  • Flash Point: 83.8°C
  • Refractive Index: 1.504
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