Cas no 1427022-89-6 (1-pyrimidin-2-ylcyclopropanecarboxylic acid)

1-pyrimidin-2-ylcyclopropanecarboxylic acid structure
1427022-89-6 structure
Product Name:1-pyrimidin-2-ylcyclopropanecarboxylic acid
CAS No:1427022-89-6
MF:C8H8N2O2
MW:164.161321640015
MDL:MFCD22419321
CID:3162817
PubChem ID:91663958
Update Time:2025-04-21

1-pyrimidin-2-ylcyclopropanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(Pyrimidin-2-yl)cyclopropane-1-carboxylic acid
    • 1-(Pyrimidin-2-yl)cyclopropanecarboxylic acid
    • 1-pyrimidin-2-ylcyclopropanecarboxylic acid
    • EN300-1854827
    • CHC02289
    • AKOS025291372
    • 1-pyrimidin-2-ylcyclopropane-1-carboxylic acid
    • 1-(Pyrimidin-2-yl)cyclopropanecarboxylicacid
    • 1-(2-Pyrimidinyl)cyclopropanecarboxylic acid
    • SCHEMBL21880061
    • P13207
    • AS-51653
    • MFCD22419321
    • DB-131583
    • 1427022-89-6
    • SB55942
    • CS-0052796
    • MDL: MFCD22419321
    • Inchi: 1S/C8H8N2O2/c11-7(12)8(2-3-8)6-9-4-1-5-10-6/h1,4-5H,2-3H2,(H,11,12)
    • InChI Key: OMNPYYRVZCQDLE-UHFFFAOYSA-N
    • SMILES: OC(C1(C2N=CC=CN=2)CC1)=O

Computed Properties

  • Exact Mass: 164.058577502g/mol
  • Monoisotopic Mass: 164.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.1
  • XLogP3: 0

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 332.3±25.0 °C at 760 mmHg
  • Flash Point: 154.8±23.2 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

1-pyrimidin-2-ylcyclopropanecarboxylic acid Security Information

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