CAS 14191-95-8|4-Hydroxyphenylacetonitrile|2-(4-hydroxyphenyl)acetonitrile|2-(4-hydroxyphenyl)acetonitrile|PHBC|4-Hydroxybenzyl cyanide|4-(Cyanomethyl)phenol|对羟基苯乙腈|4-羟基苯乙腈|4-Hydroxypheny...

基本信息

化学结构

分子式

C₈H₇NO

分子量

133.14728

精确质量

133.05276385

电荷

InChI

InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2

InChIKey

AYKYOOPFBCOXSL-UHFFFAOYSA-N

Canonic Smiles

N#CCc1ccc(cc1)O

Isomeric Smiles

c1(ccc(cc1)O)CC#N

计算属性

JChem

LogD (pH = 7.4)

1.36

LogD (pH = 5.5)

1.37

Log P

1.37

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

9.49

极化表面积

44.02

极化性

13.71

摩尔折射率

38.33

LOG S

-1.18

数据来源

名称和标识

别名

4-Hydroxyphenylacetonitrile2-(4-hydroxyphenyl)acetonitrile4-Hydroxybenzyl cyanide4-(Cyanomethyl)phenol对羟基苯乙腈4-羟基苯乙腈4-Hydroxyphenylacetonitrilep-HYDROXYBENZYL CYANIDE4-Hydroxy-benzeneacetonitrile4-Hydroxybenzyl cyanide4-Hydroxyphenylacetonitrile(4-hydroxyphenyl)acetonitrile4-Hydroxybenzylcyanide4-hydroxyphenylacetic acid nitrile4-Hydroxybenzeneacetonitrile4-hydroxyphenylacetonitrile

IUPAC标准名

2-(4-hydroxyphenyl)acetonitrile

IUPAC传统名

PHBC

名称和标识

数据登录号

MDL号

MFCD00002383

PubChem CID

26548

PubChem SID

24895500162057221248790558144955