CAS 774-55-0|1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|6-Acetyl-1,2,3,4-tetrahydronaphthalene|1-...

基本信息

化学结构

分子式

C₁₂H₁₄O

分子量

174.23896

精确质量

174.10446507

电荷

InChI

InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3

InChIKey

VEPUKHYQNXSSKV-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1ccc2c(c1)CCCC2

Isomeric Smiles

O=C(c1cc2c(cc1)CCCC2)C

计算属性

JChem

Acid pKa

16.240396

质子受体

质子供体

LogD (pH = 5.5)

2.9831476

LogD (pH = 7.4)

2.9831476

Log P

2.9831476

摩尔折射率

53.943

极化性

20.557247

极化表面积

17.07

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

1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one6-Acetyl-1,2,3,4-tetrahydronaphthalene1-(5,6,7,8-四氢-2-萘)乙酮1-(5,6,7,8-Tetrahydronaphthalen-2-yl)ethanone6-乙酰基-1,2,3,4-四氢萘6-乙酰基四氢萘6-Acetyltetralin1-(5,6,7,8-Tetrahydronaphthalen-2-yl)ethanone5',6',7',8'-Tetrahydro-2'-acetonaphthone

IUPAC传统名

1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

IUPAC标准名

1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one

名称和标识

数据登录号

PubChem SID

162074128

PubChem CID

69885

MDL号

MFCD00019710