toluene

Chemical Formula:

C₇H₈

Molecular Weight:

92.14 Daltons

Monoisotopic Mass:

92.0626002568 Daltons

SMILES:

CC1(C=CC=CC=1)

InChI:

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

InChIKey:

YXFVVABEGXRONW-UHFFFAOYSA-N

Synonyms

monomethyl benzene
antisal 1a
tolu-sol
methacide
phenyl methane
methylbenzene
toluol

Databases

MetaCyc: TOLUENE

RefMet: Toluene

HMDB: HMDB34168

DRUGBANK: DB01900

ChemSpider: 1108

PubChem (CID): 1140

ChEBI: 17578

KEGG: C01455

CAS: 108-88-3

MediaDB: compounds/1290/

Seed: cpd01034

MetaNetX: MNXM889

NIKKAJI: J2.868A

3DMET: B00293

PDB-CCD: MBN

CHEMBL: CHEMBL9113

PupChem (SID): 4632