Cas no 1577-31-7 (2-Heptenoic acid, (2Z)-)

2-Heptenoic acid, (2Z)- structure
2-Heptenoic acid, (2Z)- structure
Product Name:2-Heptenoic acid, (2Z)-
CAS No:1577-31-7
MF:C7H12O2
MW:128.168982505798
CID:183118
PubChem ID:5358355
Update Time:2025-04-19

2-Heptenoic acid, (2Z)- Chemical and Physical Properties

Names and Identifiers

    • 2-Heptenoic acid, (2Z)-
    • (Z)-2-Heptenoic acid
    • (E)-2-fluoro-3-phenylprop-2-enenitrile
    • (Z)-2-fluoro-3-phenylacrylonitrile
    • (Z)-2-fluoro-3-phenyl-acrylonitrile
    • (Z)-hept-2-enoic acid
    • (Z)-heptenoic acid
    • 2-Propenenitrile, 2-fluoro-3-phenyl-, (Z)-
    • ACMC-20mzey
    • AGN-PC-00NPZ8
    • cis-Hepten-(2)-saeure-(1)
    • CTK0F1606
    • Hept-(2Z)-enylsaeure
    • hept-2c-enoic acid
    • Hept-2c-ensaeure
    • SureCN9651827
    • UNII-5EJ1P4HWDM
    • NSC 244946
    • cis-heptenoic acid
    • 2-Heptenoic acid, cis-
    • CHEBI:38365
    • 2-Heptenoic acid, (Z)-
    • cis-hept-2-enoic acid
    • YURNCBVQZBJDAJ-WAYWQWQTSA-N
    • NSC244946
    • 1577-31-7
    • 5EJ1P4HWDM
    • (2Z)-hept-2-enoic acid
    • NSC-244946
    • Q27117588
    • cis-Hept-2-ensaeure
    • SCHEMBL3968467
    • cis-2-Heptenoic acid
    • Inchi: 1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5-
    • InChI Key: YURNCBVQZBJDAJ-WAYWQWQTSA-N
    • SMILES: OC(/C=C\CCCC)=O

Computed Properties

  • Exact Mass: 128.08376
  • Monoisotopic Mass: 128.08373
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 2.1

Experimental Properties

  • Density: 0.968
  • Boiling Point: 226.6°C at 760 mmHg
  • Flash Point: 133.4°C
  • Refractive Index: 1.457
  • PSA: 37.3
  • LogP: 1.81740
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