Chem
J-GLOBAL ID：200907000445909700
Nikkaji number：J2.103.193C
(3-2H)Toluene
(3-2H)トルエン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C7H7[2H]
Molecular formula furigana： C7-H8
Molecular weight： 93.147
InChI：
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D
InChI key：
YXFVVABEGXRONW-WFVSFCRTSA-N
SMILES：
c1([2H])cccc(C)c1
Systematic name (3)：
- (3-2H)トルエン
- 1-メチル(3-2H)ベンゼン
- 1-methyl(3-2H)benzene
- (3-2H)Toluene
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