CAS 10365-98-7|CAS 5720-06-9|3-Methoxybenzeneboronic acid|(3-methoxyphenyl)boronic acid|3-Boronoanisole|3-methoxyphenylboronic acid|3-Methoxyphenylboronic acid|(m-Methoxyphenyl)boronic acid|3-Methox...

基本信息

化学结构

分子式

C₇H₉BO₃

分子量

151.95556

精确质量

152.06447455

电荷

InChI

InChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3

InChIKey

NLLGFYPSWCMUIV-UHFFFAOYSA-N

Canonic Smiles

COc1cccc(c1)B(O)O

Isomeric Smiles

B(c1cccc(c1)OC)(O)O

计算属性

JChem

Acid pKa

8.656432

质子受体

质子供体

LogD (pH = 5.5)

1.3867989

LogD (pH = 7.4)

1.3638042

Log P

1.3871

摩尔折射率

37.0667

极化性

16.0519

极化表面积

49.69

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

3-Methoxybenzeneboronic acid3-Boronoanisole3-Methoxyphenylboronic acid(m-Methoxyphenyl)boronic acid3-Methoxyphenylboronic acid3-Methoxybenzeneboronic acidm-Methoxybenzeneboronic acid间甲氧基苯硼酸3-甲氧基苯硼酸m-Anisylboronic acido-Anisylboronic Acido-Methoxybenzeneboronic Acid2-Methoxybenzeneboronic Acid2-Methoxylphenylboronic Acid (contains varying amounts of Anhydride)B-(2-Methoxyphenyl)boronic Acid(2-Methoxyphenyl)boronic Acid(2-Methoxyphenyl)boric Acid2-Methoxyphenylboronic Acid3-Methoxylphenylboronic Acid (contains varying amounts of Anhydride)(3-Methyloxyphenyl)boronic Acid(3-Methoxyphenyl)boronic Acido-Methoxyphenylboronic Acid(3-methoxyphenyl)boranediolB-(3-Methoxyphenyl)boronic Acid(3-methoxyphenyl)boronic acid3-Methoxyphenylboronic acid3-Methoxybenzeneboronic acid

IUPAC标准名

(3-methoxyphenyl)boronic acid

IUPAC传统名

3-methoxyphenylboronic acid

名称和标识

数据登录号

MDL号

MFCD00161359

CAS号

10365-98-75720-06-9

Beilstein号

2831223