CAS 3034-50-2|4-Formyl-1H-imidazole|1H-Imidazole-4-carboxaldehyde 98%|1H-imidazole-4-carbaldehyde|1H-imidazole-4-carbaldehyde|Imidazole-4-carbaldehyde|3H-imidazole-4-carbaldehyde|1H-imidazole-5-carb...

基本信息

化学结构

分子式

C₄H₄N₂O

分子量

96.08736

精确质量

96.03236276

电荷

InChI

InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)

InChIKey

ZQEXIXXJFSQPNA-UHFFFAOYSA-N

Canonic Smiles

O=Cc1c[nH]cn1

Isomeric Smiles

c1nc(c[nH]1)C=O

计算属性

JChem

Acid pKa

9.891519

质子受体

质子供体

LogD (pH = 5.5)

-0.69087344

LogD (pH = 7.4)

-0.51731616

Log P

-0.51272076

摩尔折射率

25.4743

极化性

9.080709

极化表面积

45.75

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-Formyl-1H-imidazole1H-Imidazole-4-carboxaldehyde 98%Imidazole-4-carbaldehyde1H-imidazole-5-carbaldehyde1H-imidazole-4-carbaldehyde4-Imidazolecarboxaldehyde5-咪唑甲醛4-咪唑甲醛5-Imidazolecarboxaldehyde咪唑-4-甲醛4-FormylimidazoleImidazole-4-carboxaldehyde4-Formylimidazole

IUPAC传统名

1H-imidazole-4-carbaldehyde 3H-imidazole-4-carbaldehyde

IUPAC标准名

1H-imidazole-4-carbaldehyde 1H-imidazole-5-carbaldehyde

名称和标识

数据登录号

MDL号

MFCD00173726

PubChem SID

24869112162035130

PubChem CID

76428