CAS 3218-36-8|4-Biphenylcarboxaldehyde|4-Phenylbenzaldehyde 98%|4-phenylbenzaldehyde|4-phenylbenzaldehyde|p-PHENYLBENZALDEHYDE|DIPHENYL-4-CARBOXALDEHYDE|p-PHENYLBENZALDEHYDE|Biphenyl-4-aldehyde|DIPH...

基本信息

化学结构

分子式

C₁₃H₁₀O

分子量

182.2179

精确质量

182.07316494

电荷

InChI

InChI=1S/C13H10O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H

InChIKey

ISDBWOPVZKNQDW-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc(cc1)c1ccccc1

Isomeric Smiles

O=Cc1ccc(cc1)c1ccccc1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.3329735

LogD (pH = 7.4)

3.3329735

Log P

3.3329735

摩尔折射率

57.7782

极化性

23.300684

极化表面积

17.07

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

4-Biphenylcarboxaldehyde4-Phenylbenzaldehyde 98%p-PHENYLBENZALDEHYDEDIPHENYL-4-CARBOXALDEHYDEp-PHENYLBENZALDEHYDEBiphenyl-4-aldehydeDIPHENYL-4-CARBOXALDEHYDEBiphenyl-4-carboxaldehyde对苯基苯甲醛联苯-4-甲醛4-苯基苯甲醛4-Phenylbenzaldehyde

IUPAC标准名

4-phenylbenzaldehyde

IUPAC传统名

4-phenylbenzaldehyde

名称和标识

数据登录号

CAS号

3218-36-8

EC号

221-742-3

MDL号

MFCD00006947