BMRB

Biological Magnetic Resonance Data Bank


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

2-hydroxyphenylacetic Acid

Graphical representations:

2-hydroxyphenylacetic acid image

Molecular Formula: C8 H8 O3

Natural Isotopic Abundance Mass: 152.14732

Mono-Isotopic Molecular Masses:

  • C12N14: 152.0473441231
  • C13N14: 160.0741828255
  • C12N15: 152.0473441231
  • C13N15: 160.0741828255

InCHi String:

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-(2-hydroxyphenyl)acetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(2-hydroxyphenyl)ethanoic acid

PubChem Substance (SID):   111677847   10529849   24895662
PubChem Compound (CID):   11970
KEGG: Compound ID   C05852
CAS Registry IDs:   614-75-5
PDB Chemical Component   OHP
Miscellaneous Databases and IDs:   Sigma-Aldrich H49804_ALDRICH   NMRShiftDB 10008771   NIST Chemistry WebBook 3011688727   NIST 3011688727   MMCD cq_03293   MDL MFCD00004323

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.