CAS 3900-45-6|2-Acetyl-6-methoxynaphthalene|1-(6-methoxynaphthalen-2-yl)ethan-1-one|1-(6-methoxynaphthalen-2-yl)ethanone|1-(6-Methoxynaphth-2-yl)ethan-1-one|1-(6-methoxy-2-naphthyl)ethan-1-one|6′-M...

基本信息

化学结构

分子式

C₁₃H₁₂O₂

分子量

200.23318

精确质量

200.08372962

电荷

InChI

InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3

InChIKey

GGWCZBGAIGGTDA-UHFFFAOYSA-N

Canonic Smiles

COc1ccc2c(c1)ccc(c2)C(=O)C

Isomeric Smiles

c1c(ccc2cc(ccc12)OC)C(=O)C

计算属性

JChem

Acid pKa

16.026457

质子受体

质子供体

LogD (pH = 5.5)

2.3626988

LogD (pH = 7.4)

2.3626988

Log P

2.3626988

摩尔折射率

59.3742

极化性

24.132519

极化表面积

26.3

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

2-Acetyl-6-methoxynaphthalene1-(6-Methoxynaphth-2-yl)ethan-1-one1-(6-methoxy-2-naphthyl)ethan-1-one2-Acetyl-6-methoxynaphthalene6′-Methoxy-2′-acetonaphthoneNSC 1055641-(6-Methoxy-2-naphthalenyl)ethanone6′-甲氧基-2′-萘乙酮6'-Methoxy-2'-acetonaphthone (Naproxen Impurity L)6-Methoxy-2-acetylnaphthalene6-Acetyl-2-methoxynaphthalene6-Methoxy-2-naphthyl Methyl KetoneNaproxen Impurity L6-Methoxy-2'-acetonaphthone2-乙酰基-6-甲氧基萘2-Acetyl-6-methoxynaphthalene

IUPAC标准名

1-(6-methoxynaphthalen-2-yl)ethan-1-one

IUPAC传统名

1-(6-methoxynaphthalen-2-yl)ethanone

名称和标识

数据登录号

PubChem SID

16203449324864781

PubChem CID

77506

CAS号

3900-45-6