CAS 119-84-6|DIHYDROCOUMARIN|Hydrocoumarin|Benzodihydropyrone|3,4-dihydrocoumarin|3,4-Dihydro-1-benzopyran-2-one|3,4-dihydro-2H-1-benzopyran-2-one|MELILOTIN|DIHYDROCOUMARIN|BENZODIHYDROPYRONE|dihydr...

基本信息

化学结构

分子式

C₉H₈O₂

分子量

148.15862

精确质量

148.0524295

电荷

InChI

InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2

InChIKey

VMUXSMXIQBNMGZ-UHFFFAOYSA-N

Canonic Smiles

O=C1CCc2c(O1)cccc2

Isomeric Smiles

O=C1CCc2c(O1)cccc2

计算属性

JChem

LogD (pH = 7.4)

1.89

LogD (pH = 5.5)

1.89

Log P

1.89

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

-7.18

极化表面积

26.30

极化性

15.11

摩尔折射率

40.46

LOG S

-1.91

数据来源

名称和标识

别名

DIHYDROCOUMARINHydrocoumarinBenzodihydropyrone3,4-Dihydro-1-benzopyran-2-oneMELILOTINDIHYDROCOUMARINBENZODIHYDROPYRONEchroman-2-one1,2-苯并二氢吡喃酮氢化肉桂酸内酯Dihydrocoumarin苯并二氢吡喃酮二氢香豆素二氢香豆素oxochromanchroman-2-onehydrocoumarinmelilotin2-hydroxydihydrocinnamic acid lactoneo-hydroxydihydrocinnamic acid lactonebenzodihydropyrone3,4-dihydro-2H-chromen-2-onemelilotic acid lactone1,2-benzodihydropyronemelilotic lactonemelilotolo-hydroxyhydrocinnamic acid delta-lactone3,4-dihydrocoumarin3,4-Dihydrocoumarin2-chromanone3,4-dihydrocoumarinDihydrocoumarin

IUPAC传统名

3,4-dihydrocoumarin dihydrocoumarin

IUPAC标准名

3,4-dihydro-2H-1-benzopyran-2-one

名称和标识

数据登录号

CAS号

119-84-6

EC号

204-354-9

PubChem CID

660