CAS 10463-20-4|(4-hydroxy-3-nitrophenyl)acetic acid|2-(4-hydroxy-3-nitrophenyl)acetic acid|2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID|4-Hydroxy-3-nitrophenylacetic acid|4-羟基-3-硝基苯乙酸|4-Acetyl-2-ni...

基本信息

化学结构

分子式

C₈H₇NO₅

分子量

197.14488

精确质量

197.03242233

电荷

InChI

InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)

InChIKey

QBHBHOSRLDPIHG-UHFFFAOYSA-N

Canonic Smiles

OC(=O)Cc1ccc(c(c1)[N+](=O)[O-])O

Isomeric Smiles

c1(cc(c(cc1)O)[N+](=O)[O-])CC(=O)O

计算属性

JChem

LogD (pH = 7.4)

-2.82

LogD (pH = 5.5)

-0.69

Log P

1.25

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

3.58

极化表面积

100.67

极化性

17.19

摩尔折射率

45.67

LOG S

-1.40

数据来源

名称和标识

IUPAC传统名

(4-hydroxy-3-nitrophenyl)acetic acid

别名

2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID4-羟基-3-硝基苯乙酸4-Hydroxy-3-nitrophenylacetic acid4-Acetyl-2-nitrophenol4-Hydroxy-3-nitrophenylacetic acid 98%Antibiotic T 0007B1m-Nitro-p-hydroxyphenylacetic Acid4-Hydroxy-3-nitrophenylacetic Acid4-Hydroxy-5-nitrophenylacetic AcidNHPA4-Hydroxy-3-nitrobenzeneacetic AcidAntibiotic T 000B1NO2HPA4-hydroxy-3-nitrophenylacetic acid2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID(4-hydroxy-3-nitrophenyl)acetic acid2-(4-hydroxy-3-nitrophenyl)acetic acid

IUPAC标准名

2-(4-hydroxy-3-nitrophenyl)acetic acid

名称和标识

数据登录号

MDL号

CAS号

EC号

Beilstein号