CAS 6272-26-0|2,3-Dihydro-6-hydroxybenzo[b]furan-3(2H)-one|6-hydroxy-2H-1-benzofuran-3-one|6-Hydroxybenzo[b]furan-3(2H)-one|6-hydroxy-2,3-dihydro-1-benzofuran-3-one|6-hydroxy-2,3-dihydrobenzo[b]fura...

基本信息

化学结构

分子式

C₈H₆O₃

分子量

150.13144

精确质量

150.03169405

电荷

InChI

InChI=1S/C8H6O3/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,9H,4H2

InChIKey

GBDMODVZBPFQKI-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)OCC2=O

Isomeric Smiles

O1c2c(ccc(c2)O)C(=O)C1

计算属性

JChem

Acid pKa

7.6274276

质子受体

质子供体

LogD (pH = 5.5)

0.76777714

LogD (pH = 7.4)

0.5651855

Log P

0.7709858

摩尔折射率

38.3458

极化性

14.645842

极化表面积

46.53

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

2,3-Dihydro-6-hydroxybenzo[b]furan-3(2H)-one6-Hydroxybenzo[b]furan-3(2H)-one6-hydroxy-2,3-dihydrobenzo[b]furan-3-one6-hydroxybenzofuran-3(2H)-one6-Hydroxy-3-coumaranone6-hydroxy-1-benzofuran-3(2H)-one6-Hydroxy-2H-benzofuran-3-one6-Hydroxy-3-coumaranone6-羟基-2H-苯并呋喃-3-酮6-Hydroxy-2,3-dihydro-1-benzofuran-3-one6-Hydroxy-2H-benzofuran-3-one

IUPAC传统名

6-hydroxy-2H-1-benzofuran-3-one

IUPAC标准名

6-hydroxy-2,3-dihydro-1-benzofuran-3-one

名称和标识

数据登录号

CAS号

6272-26-0

MDL号

MFCD00068174

PubChem SID

24882284162078141