HCID38515

Butanoic acid, 3-oxo-, 1-phenylethyl ester

1-phenylethyl 3-oxobutanoate

C12H14O3206.24 g/molCAS 40552-84-9

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IDENTITY

结构与身份

标准 SMILES: CC(=O)CC(=O)OC(C)c1ccccc1
InChIKey: GSBJXOIVIOYPOW-UHFFFAOYSA-N
分子式: C12H14O3
平均分子量: 206.24 g/mol
单同位素质量: 206.0942943

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 5
重原子: 15
形式电荷: 0
复杂度: 229

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Chemical: Butanoic acid, 3-oxo-, 1-phenylethyl ester

Other Safety Information

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Chemical: Butanoic acid, 3-oxo-, 1-phenylethyl ester

USES

用途与制造

来源：PubChem

General Manufacturing Information

Butanoic acid, 3-oxo-, 1-phenylethyl ester: INACTIVE

ALIASES

名称与别名

共 14 条

1-PHENYLETHYL 3-OXOBUTANOATE40552-84-9alpha-Methylbenzyl acetoacetateButanoic acid, 3-oxo-, 1-phenylethyl esterEINECS 254-973-3DTXSID30885807RefChem:122100DTXCID4010251681-Phenylethyl acetoacetatealpha-PhenylacetessigesterSCHEMBL3320374(rac)-1-phenylethyl 3-oxobutanoateAKOS024323859NS00058138

REACTIONS

参与反应

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