Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(C(=O)O)cc1S(N)(=O)=O
- InChIKey
- USYIWRQZOYSBNN-UHFFFAOYSA-N
- 分子式
- C8H9NO4S
- 平均分子量
- 215.23 g/mol
- 单同位素质量
- 215.02522894
COMPUTED
结构计算性质
- XLogP
- 0.4
- 极性表面积
- 106 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 319
物化、安全与法规信息正在同步。
ALIASES
名称与别名
4-methyl-3-sulfamoylbenzoic acidDTXSID20286329RefChem:525271DTXCID40237479673-321-220532-05-23-(aminosulfonyl)-4-methylbenzoic acidBenzoic acid, 3-(aminosulfonyl)-4-methyl-MFCD004643044-methyl-3-sulfamoyl-benzoic acidNSC447974-METHYL-3-SULFAMOYLBENZOICACIDp-CarboxytoluolsulfonamidOprea1_841325SCHEMBL942239USYIWRQZOYSBNN-UHFFFAOYSA-Naminosulfonyl)-4-methylbenzoic acidGS0933NSC-44797AKOS000146808
REACTIONS
参与反应
uspto-grants-1977_12 · 10.6084/m9.figshare.5104873.v1 · US04061761
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975439B2
查看uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975439B2
查看uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975439B2
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看uspto-grants-1981_11 · 10.6084/m9.figshare.5104873.v1 · US04302241
查看