Benzenediol, amino-(9CI) | 117001-65-7
英文名称:
Benzenediol, amino-(9CI)
CAS No.:
117001-65-7
分子式:
C6 H7 NO2
分子量:
125.12528
名称和标识符
InChIKey
MGBKJKDRMRAZKC-UHFFFAOYSA-N
Inchi
InChI=1S/C6H7NO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H,7H2
SMILES
NC1=CC=CC(O)=C1O
别名信息
- 英文别名 -
Benzenediol, amino-(9CI)
EN300-1853451
bis(2-ethylhexyl)hydrogenphosphate
MGBKJKDRMRAZKC-UHFFFAOYSA-N
3-amino-1,2-benzenediol
PD165944
SCHEMBL5556
MFCD14584779
A879465
2,3-Dihydroxyaniline
3-Aminocatechol
3-Aminopyrocatechol
20734-66-1
J-511679
117001-65-7
Aminobenzenediol
Benzenediol, amino-
Brenzkatechinamine
3-Aminobenzene-1 pound not2-diol
Pyrocatechol, 3-amino-
3-aminobenzene-1,2-diol
AE-0019
3-aminobenzene-1,2,-diol
AKOS005071756
FT-0681778
2,3-dihydroxyaniline
DTXSID60151663
Catecholamine
物化性质
实验特性
PSA
66.48
折射率
1.7
沸点
297°C at 760 mmHg
闪点
133.4°C
密度
1.412
计算特性
精确分子量
125.04771
氢键供体数量
3
氢键受体数量
3
可旋转化学键数量
0
同位素质量
125.047678
重原子数量
9
复杂度
97.1
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
0.5
拓扑分子极性表面积
66.5
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