Cas no 112192-74-2 (1H-Imidazole-5-carboxylicacid, 1-(2-propen-1-yl)-)

1H-Imidazole-5-carboxylicacid, 1-(2-propen-1-yl)- structure
112192-74-2 structure
Product Name:1H-Imidazole-5-carboxylicacid, 1-(2-propen-1-yl)-
CAS No:112192-74-2
MF:C7H8N2O2
MW:152.150621414185
CID:129564
PubChem ID:45082036
Update Time:2025-04-19

1H-Imidazole-5-carboxylicacid, 1-(2-propen-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-5-carboxylicacid, 1-(2-propen-1-yl)-
    • 1H-Imidazole-5-carboxylicacid,1-(2-propenyl)-(9CI)
    • 3-prop-2-enylimidazole-4-carboxylic acid
    • 1-(Prop-2-en-1-yl)-1H-imidazole-5-carboxylic acid
    • SCHEMBL15202232
    • DTXSID90665046
    • 112192-74-2
    • 1-Allyl-1H-imidazole-5-carboxylic acid
    • Inchi: 1S/C7H8N2O2/c1-2-3-9-5-8-4-6(9)7(10)11/h2,4-5H,1,3H2,(H,10,11)
    • InChI Key: CLLHBGSUFAKYQC-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=CN1CC=C)=O

Computed Properties

  • Exact Mass: 152.059
  • Monoisotopic Mass: 152.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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: 55.1A^2
  • XLogP3: 0.6

Experimental Properties

  • PSA: 55.12000
  • LogP: 0.76730
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