CAS 35511-15-0|methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1$l^{6},2-benzothiazine-3-carboxylate|Methyl 2-methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide|methyl 4-hydroxy-2-methyl-1,1-dio...

基本信息

化学结构

分子式

C₁₁H₁₁NO₅S

分子量

269.27374

精确质量

269.03579346

电荷

InChI

InChI=1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3

InChIKey

NGHIOTWSWSQQNT-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C

Isomeric Smiles

S1(=O)(=O)N(C(=C(c2c1cccc2)O)C(=O)OC)C

计算属性

JChem

Acid pKa

4.333779

质子受体

质子供体

LogD (pH = 5.5)

-0.6289407

LogD (pH = 7.4)

-2.0746467

Log P

0.55660325

摩尔折射率

65.3787

极化性

25.396803

极化表面积

83.91

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标准名

methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1$l^{6},2-benzothiazine-3-carboxylate methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1λ⁶,2-benzothiazine-3-carboxylate

别名

Methyl 2-methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxideMethyl 4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-Dioxide(Piroxicam Impurity J)4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic Acid Methyl Ester 1,1-DioxidePiroxicam Impurity J

IUPAC传统名

methyl 4-hydroxy-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxylate methyl 4-hydroxy-2-methyl-1,1-dioxo-1λ⁶,2-benzothiazine-3-carboxylate

名称和标识

数据登录号

PubChem SID

PubChem CID

MDL号

CAS号