Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

4-Hydroxy-benzoic Acid

Graphical representations:

4-Hydroxy-benzoic acid image

Molecular Formula: C7 H6 O3

Natural Isotopic Abundance Mass: 138.1207400000

Mono-Isotopic Molecular Masses:

  • C12N14: 138.031694059
  • C13N14: 145.055177923
  • C12N15: 138.031694059
  • C13N15: 145.055177923

InCHi String:

isomeric and canonical SMILES: C1=CC(=CC=C1C(=O)O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
4-hydroxybenzoic acid

PubChem Substance (SID):   111677720   150542   3456
PubChem Compound (CID):   135
KEGG: Compound ID   C00156
CAS Registry IDs:   114-63-6   16782-08-4   99-96-7
PDB Chemical Component   PHB
Miscellaneous Databases and IDs:   CHEBI 30763   EINECS 202-804-9   HSDB 7233   NSC 4961

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.