Cas no 1242458-51-0 (2-Ethoxypyrimidine-5-carboxylic acid)

2-Ethoxypyrimidine-5-carboxylic acid structure
1242458-51-0 structure
Product Name:2-Ethoxypyrimidine-5-carboxylic acid
CAS No:1242458-51-0
MF:C7H8N2O3
MW:168.15002155304
MDL:MFCD18905713
CID:2854509
PubChem ID:66570768
Update Time:2023-08-09

2-Ethoxypyrimidine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Ethoxypyrimidine-5-carboxylic acid
    • 5-Pyrimidinecarboxylic acid, 2-ethoxy-
    • AMY17096
    • AT32921
    • SB56166
    • MDL: MFCD18905713
    • Inchi: 1S/C7H8N2O3/c1-2-12-7-8-3-5(4-9-7)6(10)11/h3-4H,2H2,1H3,(H,10,11)
    • InChI Key: FQASPYCVGVQZSQ-UHFFFAOYSA-N
    • SMILES: O(C1N=CC(C(=O)O)=CN=1)CC

Computed Properties

  • Exact Mass: 168.05349212 g/mol
  • Monoisotopic Mass: 168.05349212 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 155
  • 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
  • Molecular Weight: 168.15
  • XLogP3: 0.4
  • Topological Polar Surface Area: 72.3

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 362.4±34.0 °C at 760 mmHg
  • Flash Point: 173.0±25.7 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-Ethoxypyrimidine-5-carboxylic acid Security Information

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