Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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结构与身份
- 标准SMILES
- O=S(=O)(O)c1ccc2ccccc2c1O
- InChIKey
- PWJNDVAKQLOWRZ-UHFFFAOYSA-N
- 分子式
- C10H8O4S
- 平均分子量
- 224.23 g/mol
- 单同位素质量
- 224.01432991
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 83 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 1
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 319
USES
用途与制造
General Manufacturing Information
2-Naphthalenesulfonic acid, 1-hydroxy-: INACTIVE
ALIASES
名称与别名
Baum's acid567-18-02-Naphthalenesulfonic acid, 1-hydroxy-1-NAPHTHOL-2-SULFONIC ACID1-Hydroxy-2-naphthalenesulfonic acidKDF25YAO2H1-Hydroxynaphthalene-2-sulphonic acidEINECS 209-303-4DTXSID6060345SCHAEFFER'S .ALPHA.-ACID1-NAPHTHOL-2-SULFONIC ACID [MI]SCHAEFFER'S ALPHA-ACIDRefChem:433114DTXCID1042102209-303-41-hydroxynaphthalene-2-sulfonic acidUNII-KDF25YAO2HNaphtholsulfosaureSCHEMBL88069SCHEMBL8645212
REACTIONS
参与反应
uspto-grants-1985_06 · 10.6084/m9.figshare.5104873.v1 · US04524124
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