InCHi String:
InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
canonical and isomeric SMILES: CC1=CC=CC(=C1)C(=O)O
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME3-methylbenzoic acid
PubChem Substance (SID):
85165333 48425331 9420PubChem Compound (CID):
7418KEGG: Compound ID
C07211CAS Registry IDs: 68092-47-7 68092-45-5 68092-46-6 99-04-7
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich T36609_ALDRICH
ChEBI CHEBI:10589 ChemBank NCIOpen2_000993
ChemIDplus 000099047
ChemSpider 7140
EINECS 202-723-9
NIAID 018012
DTP/NCI 2214
EPA DSSTox 33694
Beilstein Handbook Reference 4-27-00-07537
ChemDB 3969316
NCGC NCGC00091271-02
NIST Chemistry WebBook 218466180
MMCD cq_04247
MDL MFCD00002523
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
