Cas no 524-07-2 (5-pyridoxic acid)

5-pyridoxic acid structure
5-pyridoxic acid structure
Product Name:5-pyridoxic acid
CAS No:524-07-2
MF:C8H9NO4
MW:183.161362409592
CID:936857
PubChem ID:440474
Update Time:2025-04-19

5-pyridoxic acid Chemical and Physical Properties

Names and Identifiers

    • 5-pyridoxic acid
    • 3-Pyridinecarboxylic acid, 5-hydroxy-4-(hydroxymethyl)-6-methyl-
    • 524-07-2
    • 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
    • Q27101890
    • RDF4ZG9Z7H
    • 5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylic acid
    • CHEBI:16409
    • DTXSID501177128
    • 5-hydroxy-4-(hydroxymethyl)-6-methylnicotinic acid
    • C04773
    • UNII-RDF4ZG9Z7H
    • 5PR
    • SCHEMBL4405851
    • Inchi: 1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)
    • InChI Key: VJZTVPVXKYQRJZ-UHFFFAOYSA-N
    • SMILES: OC1C(C)=NC=C(C(=O)O)C=1CO

Computed Properties

  • Exact Mass: 183.05317
  • Monoisotopic Mass: 183.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 197
  • 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: 90.6A^2
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.48
  • Boiling Point: 543.3°C at 760 mmHg
  • Flash Point: 282.4°C
  • Refractive Index: 1.637
  • PSA: 90.65
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