Chem
J-GLOBAL ID：200907096127109181
Nikkaji number：J47.841E
o-Toluic acid [1,1,1,2,3,3,3-2H7]propan-2-yl ester
o-トルイル酸[1,1,1,2,3,3,3-2H7]プロパン-2-イル
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： C11H7[2H]7O2
Molecular formula furigana： C11-H14-O2
Molecular weight： 185.274
InChI：
InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i1D3,2D3,8D
InChI key：
GKOTWEXRHKVLLK-UNAVHCQLSA-N
SMILES：
C([2H])([2H])([2H])C([2H])(OC(=O)c1ccccc1C)C([2H])([2H])[2H]
Systematic name (3)：
- o-トルイル酸[1,1,1,2,3,3,3-2H7]プロパン-2-イル
- (1,1,1,2,3,3,3-2H7)プロパン-2-イル 2-メチルベンゾアート
- (1,1,1,2,3,3,3-2H7)propan-2-yl 2-methylbenzoate
- o-Toluic acid [1,1,1,2,3,3,3-2H7]propan-2-yl ester
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