CAS 6141-57-7|methyl 3-methylfuran-2-carboxylate|methyl 3-methylfuran-2-carboxylate|Methyl 3-methyl-2-furoate|3-Methyl-2-furoic Acid Methyl Ester |Methyl 3-methyl-2-furoate|3-甲基-2-糠酸甲酯|3-Methy...

基本信息

化学结构

分子式

C₇H₈O₃

分子量

140.13662

精确质量

140.04734412

电荷

InChI

InChI=1S/C7H8O3/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3

InChIKey

AQQYRDKMXXSIMP-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1occc1C

Isomeric Smiles

o1ccc(c1C(=O)OC)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.5503908

LogD (pH = 7.4)

1.5503908

Log P

1.5503908

摩尔折射率

35.5154

极化性

13.441086

极化表面积

39.44

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

IUPAC传统名

methyl 3-methylfuran-2-carboxylate

IUPAC标准名

methyl 3-methylfuran-2-carboxylate

别名

Methyl 3-methyl-2-furoate3-Methyl-2-furoic Acid Methyl Ester Methyl 3-methyl-2-furoate3-甲基-2-糠酸甲酯3-Methylfuran-2-carboxylic acid methyl esterNSC 508754Methyl 3-Methylfuroate3-Methyl-2-furancarboxylic Acid Methyl EsterMethyl 3-Methyl-2-furoateMethyl 3-Methyl-2-furancarboxylatemethyl 3-methylfuran-2-carboxylate3-甲基-2-呋喃甲酸甲酯3-methylfuran-2-carboxylic acid methyl ester 3-methyl-2-furoic acid,methyl ester methyl 3-methyl-2-furoate methyl 3-methyl-2-furancarboxylate methyl 3-methylfuran-2-carboxylate

名称和标识

数据登录号

MDL号

CAS号

EC号

Beilstein号

PubChem CID