Chem
J-GLOBAL ID:200907048540272371   Nikkaji number:J1.327.728A

(αS,βS)-α-Cyano-α-methyl-β-hydroxybenzenepropionic acid methyl ester

(αS,βS)-α-シアノ-α-メチル-β-ヒドロキシベンゼンプロピオン酸メチル
Substance type:
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
Molecular formula: C12H13NO3
Molecular formula furigana: C12-H13-N-O3
Molecular weight: 219.240
InChI: InChI=1S/C12H13NO3/c1-12(8-13,11(15)16-2)10(14)9-6-4-3-5-7-9/h3-7,10,14H,1-2H3/t10-,12-/m0/s1
InChI key: ZYKGMUNBCWIJOE-JQWIXIFHSA-N
SMILES: COC(=O)[C@@](C)(C#N)[C@@H](O)c1ccccc1
Systematic name  (3):
  • (αS,βS)-α-シアノ-α-メチル-β-ヒドロキシベンゼンプロピオン酸メチル
  • メチル (2S,3S)-2-シアノ-3-ヒドロキシ-2-メチル-3-フェニルプロパノアート
  • methyl (2S,3S)-2-cyano-3-hydroxy-2-methyl-3-phenylpropanoate
Other name (1):
  • (αS,βS)-α-Cyano-α-methyl-β-hydroxybenzenepropionic acid methyl ester
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