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

2-hydroxyphenylacetic Acid bmse000715 - Data

2_hydroxyphenylacetic_acid synonyms

2-Hydroxyphenylacetate; Benzeneacetic acid, 2-hydroxy-; 2-Hydroxyphenylacetic acid; (2-HYDROXYPHENYL)-ACETIC ACID; benzeneacetic acid, 2-hydroxy-; (2-hydroxyphenyl)acetic acid; Acetic acid, (o-hydroxyphenyl)-

Wikipedia:

Graphical representations:

2_hydroxyphenylacetic_acid

View large 3D structure

Molecular Formula: C8H8O3

Natural Isotopic Abundance Mass: 152.14732

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

PubChem Compound (CID): 11970
CAS Registry number: 614-75-5
Sigma-Aldrich: H49804_ALDRICH
KEGG Compound ID: C05852
NMRShiftDB: 10008771
NIST Chemistry WebBook: 3011688727
NIST: 3011688727
MMCD: cq_03293
MDL: MFCD00004323
PDB Compound ID: OHP

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)