CAS 28315-93-7|5-Hydroxy-1-tetralone|5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one|5-hydroxy-3,4-dihydro-2H-naphthalen-1-one|5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one|5-Hydroxy-1-tetralone|3,4-Dih...

基本信息

化学结构

分子式

C₁₀H₁₀O₂

分子量

162.1852

精确质量

162.06807956

电荷

InChI

InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2

InChIKey

YPPZCRZRQHFRBH-UHFFFAOYSA-N

Canonic Smiles

O=C1CCCc2c1cccc2O

Isomeric Smiles

c1cc(c2c(c1)C(=O)CCC2)O

计算属性

JChem

Acid pKa

8.7537775

质子受体

质子供体

LogD (pH = 5.5)

1.9773189

LogD (pH = 7.4)

1.9588675

Log P

1.9775593

摩尔折射率

46.3076

极化性

17.61633

极化表面积

37.3

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

5-Hydroxy-1-tetralone5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one5-Hydroxy-1-tetralone3,4-Dihydro-5-hydroxy-1(2H)-naphthalenone5-Hydroxy-α-tetralone1,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthalene5-Hydroxy-3,4-dihydro-2H-naphthalen-1-one5-Hydroxy-3,4-dihydro-1(2H)-naphthalenone1,2,3,4-Tetrahydro-5-hydroxynaphthyl-1-one5-Hydroxy-1,2,3,4-tetrahydronaphthalen-1-one5-羟基-1-四氢萘酮

IUPAC标准名

5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one

IUPAC传统名

5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

名称和标识

数据登录号

CAS号

28315-93-7

Beilstein号

2437410

EC号

248-958-0