HRID2640
uspto-grants-1998_03
作为反应物
uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05730903
查看条件与参与物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
- XLogP
- 2.5
- 极性表面积
- 40.1 Ų
- 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
benzoatePhenylformateBenzeneformateBenzenemethanoatePhenylcarboxylateBenzenecarboxylateDTXSID4043771CHEBI:16150RefChem:327713DTXCID2023771766-76-7benzoate anionBenzoic acid, ion(1-)benzoic acid anionOracyclic acidRetarded BAbenzene-carboxylateBenzene formic acidGTPL4565BDBM36181
REACTIONS
参与反应
HRID7455
uspto-grants-2006_08
作为反应物
uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087594B2
查看条件与参与物HRID16537
uspto-grants-2010_06
作为反应物
uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737145B2
查看条件与参与物HRID52454
uspto-grants-1997_04
作为反应物
uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05616712
查看条件与参与物HRID93903
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID100435
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID141964
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID161566
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物