Cas no 1250812-18-0 (4-propyl-5-pyrimidinecarboxylic acid)

4-propyl-5-pyrimidinecarboxylic acid structure
1250812-18-0 structure
Product Name:4-propyl-5-pyrimidinecarboxylic acid
CAS No:1250812-18-0
MF:C8H10N2O2
MW:166.177201747894
MDL:MFCD16082782
CID:4457290
PubChem ID:20982068
Update Time:2025-04-24

4-propyl-5-pyrimidinecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-propylpyrimidine-5-carboxylic acid
    • EN300-685310
    • 4-propyl-5-pyrimidinecarboxylic acid
    • 4-propyl-5-pyrimidinecarboxylic acid(SALTDATA: FREE)
    • AKOS010970289
    • 1250812-18-0
    • MFCD16082782
    • CS-0297284
    • 4-propylpyrimidine-5-carboxylicacid
    • SB56845
    • SCHEMBL20337746
    • BS-37231
    • 4-propyl-5-pyrimidinecarboxylic acid(SALTDATA
    • 5-Pyrimidinecarboxylic acid, 4-propyl-
    • MDL: MFCD16082782
    • Inchi: 1S/C8H10N2O2/c1-2-3-7-6(8(11)12)4-9-5-10-7/h4-5H,2-3H2,1H3,(H,11,12)
    • InChI Key: JPWDODSSYWUORQ-UHFFFAOYSA-N
    • SMILES: C1=NC=C(C(O)=O)C(CCC)=N1

Computed Properties

  • Exact Mass: 166.074227566Da
  • Monoisotopic Mass: 166.074227566Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 161
  • 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
  • XLogP3: 0.9
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 314.3±22.0 °C at 760 mmHg
  • Flash Point: 143.9±22.3 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

4-propyl-5-pyrimidinecarboxylic acid Security Information

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