Cas no 72726-63-7 (4-HYDROXYMETHYL-NICOTINIC ACID)

4-HYDROXYMETHYL-NICOTINIC ACID structure
72726-63-7 structure
Product Name:4-HYDROXYMETHYL-NICOTINIC ACID
CAS No:72726-63-7
MF:C7H7NO3
MW:153.135381937027
MDL:MFCD00209982
CID:550149
PubChem ID:12758255
Update Time:2025-04-19

4-HYDROXYMETHYL-NICOTINIC ACID Chemical and Physical Properties

Names and Identifiers

    • 4-HYDROXYMETHYL-NICOTINIC ACID
    • 3-Pyridinecarboxylic acid, 4-(hydroxymethyl)-
    • 4-(hydroxymethyl)pyridine-3-carboxylic acid
    • 4-HYDROXYMETHYL-3-PYRIDINECARBOXYLIC ACID
    • FT-0692509
    • AKOS006272192
    • 4-(Hydroxymethyl)nicotinicacid
    • 72726-63-7
    • J-513751
    • 4-(Hydroxymethyl)nicotinic acid
    • SCHEMBL3880004
    • DTXSID30509117
    • MDL: MFCD00209982
    • Inchi: 1S/C7H7NO3/c9-4-5-1-2-8-3-6(5)7(10)11/h1-3,9H,4H2,(H,10,11)
    • InChI Key: UNIPOZULSQYNNR-UHFFFAOYSA-N
    • SMILES: OCC1C=CN=CC=1C(=O)O

Computed Properties

  • Exact Mass: 153.04300
  • Monoisotopic Mass: 153.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 149
  • 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: -0.5
  • Topological Polar Surface Area: 70.4?2

Experimental Properties

  • Density: 1.404
  • Boiling Point: 385.5 °C at 760 mmHg
  • Flash Point: 186.9 °C
  • PSA: 70.42000
  • LogP: 0.27210

4-HYDROXYMETHYL-NICOTINIC ACID Pricemore >>

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