BMRB

Biological Magnetic Resonance Data Bank


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

p-Anisic_acid

Graphical representations:

p-Anisic_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: InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)

canonical and isomeric SMILES: COC1=CC=C(C=C1)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-methoxybenzoic acid

PubChem Substance (SID):   85165154   158207   594740
PubChem Compound (CID):   7478
KEGG: Compound ID   C02519
CAS Registry IDs:   100-09-4   1335-08-6
PDB Chemical Component   ANN
Miscellaneous Databases and IDs:   Sigma-Aldrich 84688_FLUKA   ChEBI CHEBI:40813   ChemBank NCIOpen2_004706   ChemIDplus 001335086   MMDB 38030.6   EINECS 215-618-8   NMRShiftDB 10024826   CambridgeSoft Corporation 574   DrugBank EXPT00523   ChemDB 5083746   NIST Chemistry WebBook 1247760877

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.