CAS 113732-84-6|2-methyl-1,3-oxazole-4-carbaldehyde|2-Methyloxazole-4-carboxaldehyde|2-methyl-1,3-oxazole-4-carbaldehyde|4-Formyl-2-methyl-1,3-oxazole|2-Methyl-1,3-oxazole-4-carboxaldehyde|2-methyl-...

基本信息

化学结构

分子式

C₅H₅NO₂

分子量

111.0987

精确质量

111.03202841

电荷

InChI

InChI=1S/C5H5NO2/c1-4-6-5(2-7)3-8-4/h2-3H,1H3

InChIKey

ARAUEWKXKTYCHZ-UHFFFAOYSA-N

Canonic Smiles

Cc1nc(co1)C=O

Isomeric Smiles

n1c(coc1C)C=O

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

0.42524698

LogD (pH = 7.4)

0.42524737

Log P

0.42524737

摩尔折射率

27.4069

极化性

10.055865

极化表面积

43.1

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

2-Methyloxazole-4-carboxaldehyde2-Methyl-1,3-oxazole-4-carboxaldehyde4-Formyl-2-methyl-1,3-oxazole2-methyl-1,3-oxazole-4-carbaldehyde2-methyloxazole-4-carbaldehyde2-Methyl-1,3-oxazole-4-carboxaldehyde2-Methyloxazole-4-carbaldehyde2-Methyl-4-formyloxazole2-Methyloxazole-4-carboxaldehyde2-Methyl-4-oxazolecarboxaldehyde2-甲基噁唑-4-甲醛

IUPAC传统名

2-methyl-1,3-oxazole-4-carbaldehyde

IUPAC标准名

2-methyl-1,3-oxazole-4-carbaldehyde

名称和标识

数据登录号

MDL号

MFCD03265461

CAS号

113732-84-6

PubChem CID

11073372