HCID415606

3-Phenyloxirane-2-carboxylic acid

C9H8O3164.16 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)C1OC1c1ccccc1
InChIKey: HALONVPKHYIEQU-UHFFFAOYSA-N
分子式: C9H8O3
平均分子量: 164.16 g/mol
单同位素质量: 164.04734411

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 49.8 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 184

ALIASES

名称与别名

共 18 条

3-phenyloxirane-2-carboxylic acid5694-02-0Oxiranecarboxylic acid, 3-phenyl- (9CI)3-phenyl-2-oxiranecarboxylic acid(2R,3S)-rel-3-Phenyl-2-oxiranecarboxylic acid1566-68-32,3-Epoxy-3-phenylpropionic acidss-Phenyl-glycidsaureNCIOpen2_001180NCIOpen2_004482SCHEMBL2533818CHEBI:177967Oxiranecarboxylic acid, 3-phenyl-3-phenyl-oxirane-2-carboxylic acidMFCD03624152AKOS015905634PD135985DB-288375

REACTIONS

参与反应

1 条

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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