Chem
J-GLOBAL ID：200907093586930581
Nikkaji number：J1.012.653C
(3,5-2H2)Toluene
(3,5-2H2)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： C7H6[2H]2
Molecular formula furigana： C7-H8
Molecular weight： 94.153
InChI：
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D,4D
InChI key：
YXFVVABEGXRONW-NMQOAUCRSA-N
SMILES：
c1([2H])cc([2H])cc(C)c1
Systematic name (3)：
- (3,5-2H2)トルエン
- 1-メチル(3,5-2H2)ベンゼン
- 1-methyl(3,5-2H2)benzene
- (3,5-2H2)Toluene
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