CAS 81779-27-3|4-hydroxy-1H-indole-3-carbaldehyde|4-hydroxy-1H-indole-3-carbaldehyde|4-Hydroxy-1H-indole-3-carbaldehyde|4-Hydroxyindole-3-carboxaldehyde 98%|4-hydroxy-3-indolecarbaldehyde|4-hydroxyi...

基本信息

化学结构

分子式

C₉H₇NO₂

分子量

161.15738

精确质量

161.04767847

电荷

InChI

InChI=1S/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H

InChIKey

QLBZIZLLMNWTHG-UHFFFAOYSA-N

Canonic Smiles

O=Cc1c[nH]c2c1c(O)ccc2

Isomeric Smiles

[nH]1cc(c2c(cccc12)O)C=O

计算属性

JChem

LogD (pH = 7.4)

1.47

LogD (pH = 5.5)

1.48

Log P

1.48

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

8.99

极化表面积

53.09

极化性

15.85

摩尔折射率

45.71

LOG S

-1.76

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

4-hydroxy-1H-indole-3-carbaldehyde

别名

4-Hydroxy-1H-indole-3-carbaldehyde4-Hydroxyindole-3-carboxaldehyde 98%4-hydroxyindole-3-carbaldehyde4-HO-I3CHO4-hydroxy-3-indolecarboxaldehyde4-hydroxyindole-3-carbaldehyde4-hydroxyindole-3-carboxaldehyde4-hydroxy-3-indolecarbaldehyde4-hydroxy-3-formylindole

IUPAC传统名

4-hydroxy-1H-indole-3-carbaldehyde 4-hydroxyindole-3-carbaldehyde

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID