HCID242

Benzoate

C7H5O2-121.11 g/molCAS 766-76-7

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IDENTITY

结构与身份

标准SMILES: O=C([O-])c1ccccc1
InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-M
分子式: C7H5O2-
平均分子量: 121.11 g/mol
单同位素质量: 121.0289544

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 40.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 9
形式电荷: -1
复杂度: 98

TOXICITY

毒理信息

Carcinogen Classification

No indication of carcinogenicity to humans (not listed by IARC).

USES

用途与制造

Uses

This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.

ALIASES

名称与别名

共 22 条

benzoatePhenylformateBenzeneformateBenzenemethanoatePhenylcarboxylateBenzenecarboxylateDTXSID4043771CHEBI:16150RefChem:327713DTXCID2023771766-76-7benzoate anionBenzoic acid, ion(1-)benzoic acid anionOracyclic acidRetarded BAbenzene-carboxylateBenzene formic acidGTPL4565BDBM36181

REACTIONS