Cas no 1261962-14-4 (3-[4-(hydroxymethyl)phenyl]pyridine-4-carboxylic Acid)

3-[4-(hydroxymethyl)phenyl]pyridine-4-carboxylic Acid structure
1261962-14-4 structure
Product Name:3-[4-(hydroxymethyl)phenyl]pyridine-4-carboxylic Acid
CAS No:1261962-14-4
MF:C13H11NO3
MW:229.231343507767
CID:1223294
PubChem ID:53222755
Update Time:2025-04-20

3-[4-(hydroxymethyl)phenyl]pyridine-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-[4-(hydroxymethyl)phenyl]pyridine-4-carboxylic Acid
    • 3-(4-(Hydroxymethyl)phenyl)isonicotinic acid
    • 3-(4-HYDROXYMETHYLPHENYL)ISONICOTINIC ACID
    • 3-(4-(Hydroxymethyl)phenyl)isonicotinicacid
    • DTXSID00687113
    • MFCD18316937
    • 1261962-14-4
    • MDL: MFCD18316937
    • Inchi: 1S/C13H11NO3/c15-8-9-1-3-10(4-2-9)12-7-14-6-5-11(12)13(16)17/h1-7,15H,8H2,(H,16,17)
    • InChI Key: RZFUZVWEBAEGAJ-UHFFFAOYSA-N
    • SMILES: OCC1C=CC(=CC=1)C1C=NC=CC=1C(=O)O

Computed Properties

  • Exact Mass: 229.07389321g/mol
  • Monoisotopic Mass: 229.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 261
  • 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: 1.1
  • Topological Polar Surface Area: 70.4?2
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