CAS 95-01-2|2,4-dihydroxybenzaldehyde|2,4-dihydroxybenzaldehyde|2,4-Dihydroxybenzaldehyde|雷琐醛|β-Resorcylaldehyde|2,4-二羟基苯甲醛|2,4-Dihydroxybenzaldehyde|beta-Resorcylaldehyde|β-Resorcinaldeh...

基本信息

化学结构

分子式

C₇H₆O₃

分子量

138.12074

精确质量

138.03169405

电荷

InChI

InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H

InChIKey

IUNJCFABHJZSKB-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc(cc1O)O

Isomeric Smiles

O=Cc1c(cc(cc1)O)O

计算属性

JChem

LogD (pH = 7.4)

1.44

LogD (pH = 5.5)

1.72

Log P

1.73

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

7.42

极化表面积

57.53

极化性

12.85

摩尔折射率

36.60

LOG S

-0.50

数据来源

名称和标识

IUPAC传统名

2,4-dihydroxybenzaldehyde

IUPAC标准名

2,4-dihydroxybenzaldehyde

别名

2,4-Dihydroxybenzaldehyde雷琐醛β-Resorcylaldehyde2,4-二羟基苯甲醛2,4-Dihydroxybenzaldehydebeta-Resorcylaldehydeβ-Resorcinaldehyde6-FormylresorcinolNC 0124-Hydroxysalicylaldehydeβ-Resorcaldehyde2,4-DihydroxybenzenecarbonalNSC 86902,4-Dihydroxysalicylaldehydeβ-Resorcylic Aldehyde2,4-Dihydroxybezaldehyde4-Formylresorcinolbeta-resorcinaldehyde2,4-dihydroxybenzaldehyde4-formylresorcinol2,4-Dihydroxybenzaldehydbeta-resorcaldehydebeta-resorcylaldehydebeta-resorcylic aldehyde4-hydroxysalicylaldehyde

名称和标识

数据登录号

MDL号

Beilstein号

EC号

CAS号

PubChem SID

248633661620406072485024850139423