bmse000356 p-Anisic_acid at BMRB

p-Anisic_acid

4-Anisic acid; ANISIC ACID; P-Anisic Acid; benzoic acid, 4-methoxy-; 4-METHOXYBENZOIC ACID; p-methoxybenzoic acid; draconic acid; p-anisic acid; Benzoic acid, 4-methoxy-; 4-Methoxybenzoic acid; 4-methoxybenzoic acid

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

p-Anisic_acid

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.