Chem
J-GLOBAL ID：200907010325338925
Nikkaji number：J859.373F
(S)-α,α-Dimethyl-β-hydroxybenzenepropanoic acid methyl ester
(S)-α,α-ジメチル-β-ヒドロキシベンゼンプロパン酸メチル
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： C12H16O3
Molecular formula furigana： C12-H16-O3
Molecular weight： 208.257
InChI：
InChI=1S/C12H16O3/c1-12(2,11(14)15-3)10(13)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3/t10-/m0/s1
InChI key：
FEXPAJSNUASWDX-JTQLQIEISA-N
SMILES：
COC(=O)C(C)(C)[C@@H](O)c1ccccc1
Systematic name (7)：
- (S)-2,2-ジメチル-3-ヒドロキシ-3-フェニルプロパン酸メチル
- (3S)-2,2-ジメチル-3-ヒドロキシ-3-フェニルプロピオン酸メチル
- (S)-2,2-ジメチル-3-ヒドロキシ-3-フェニルプロピオン酸メチル
- (βS)-α,α-ジメチル-β-ヒドロキシベンゼンプロパン酸メチル
- (S)-α,α-ジメチル-β-ヒドロキシベンゼンプロパン酸メチル
Show all
- (S)-2,2-Dimethyl-3-hydroxy-3-phenylpropanoic acid methyl ester
- (3S)-2,2-Dimethyl-3-hydroxy-3-phenylpropionic acid methyl ester
- (S)-2,2-Dimethyl-3-hydroxy-3-phenylpropionic acid methyl ester
- (βS)-α,α-Dimethyl-β-hydroxybenzenepropanoic acid methyl ester
- (S)-α,α-Dimethyl-β-hydroxybenzenepropanoic acid methyl ester
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