CAS 67-47-0|5-(hydroxymethyl)furan-2-carbaldehyde|5-Hydroxymethylfurfural|hydroxymethylfurfural|5-Hydroxymethyl-2-furancarboxaldehyde|5-hydroxymethylfurfural|5-HYDROXYMETHYL-2-FURALDEHYDE|Hydroxymet...

基本信息

化学结构

分子式

C₆H₆O₃

分子量

126.11004

精确质量

126.03169405

电荷

InChI

InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2

InChIKey

NOEGNKMFWQHSLB-UHFFFAOYSA-N

Canonic Smiles

OCc1ccc(o1)C=O

Isomeric Smiles

C(=O)c1ccc(o1)CO

计算属性

JChem

Acid pKa

13.645733

质子受体

质子供体

LogD (pH = 5.5)

-0.10135385

LogD (pH = 7.4)

-0.101354085

Log P

-0.10135384

摩尔折射率

31.7263

极化性

11.626859

极化表面积

50.44

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

IUPAC标准名

5-(hydroxymethyl)furan-2-carbaldehyde

别名

5-Hydroxymethylfurfural5-Hydroxymethyl-2-furancarboxaldehyde5-HYDROXYMETHYL-2-FURALDEHYDEHydroxymethylfurfural5-羟甲基糠醛HMF5-羟甲基-2-糠醛5-Hydroxymethyl-2-furaldehyde5-(Hydroxymethyl)furfural5-羟甲基-2-呋喃甲醛5-Hydroxymethyl-2-furaldehyde5-(Hydroxymethyl)furfural5-(hydroxymethyl)furan-2-carbaldehyde5-羟甲基-2-糠醛5-(羟甲基)糠醛5-(Hydroxymethyl)-2-furaldehyde5-(Hydroxymethyl)furan-2-carboxaldehyde5-羟基甲基呋喃甲醛5-Hydroxymethylfurfural5-(Hydroxymethyl)-2-furancarboxaldehyde5-(Hydroxymethyl)-2-furancarbonalHydroxymethylfurfuraldehydeNSC 407382-Hydroxymethyl-5-furfural5-Oxymethylfurfurole5-Hydroxymethylfurfurol2-Formyl-5-hydroxymethylfuran

IUPAC传统名

hydroxymethylfurfural 5-hydroxymethylfurfural

名称和标识

数据登录号

MDL号

MFCD00003234

EC号

200-654-9

CAS号

67-47-0

PubChem SID

2489561824902006162033234