CAS 14206-69-0|3-Amino-5-hydroxybenzoic acid hydrochloride 95%|AHBA hydrochloride|3-amino-5-hydroxybenzoic acid hydrochloride|3-Amino-5-carboxyphenol hydrochloride|3-Carboxy-5-hydroxyanilne hydrochl...

General Information

Structure

Molecular Formula

C₇H₈ClNO₃

Molecular Mass

189.59632

Exact Mass

189.0192708

Charge

InChI

InChI=1S/C7H7NO3.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3,9H,8H2,(H,10,11);1H

InChIKey

CXESTILCPSBCGQ-UHFFFAOYSA-N

Canonic Smiles

Nc1cc(O)cc(c1)C(=O)O.Cl

Isomeric Smiles

Nc1cc(cc(c1)C(=O)O)O.Cl

Calculated Properties

JChem

Acid pKa

4.5635037

H Acceptors

H Donor

LogD (pH = 5.5)

-0.5119757

LogD (pH = 7.4)

-2.2827158

Log P

0.3433316

Molar Refractivity

39.9955

Polarizability

14.462586

Polar Surface Area

83.55

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-Amino-5-carboxyphenol hydrochloride3-Amino-5-hydroxybenzoic acid hydrochloride 95%3-Carboxy-5-hydroxyanilne hydrochloride3-Amino-5-hydroxybenzoic acid hydrochloride3-amino-5-hydroxybenzoic acid hydrochloride hydrate3-AMino-5-hydroxybenzoic acid hydrochloride

IUPAC Traditional name

AHBA hydrochloride

IUPAC name

3-amino-5-hydroxybenzoic acid hydrochloride

Names and Identifiers

Registration numbers

Beilstein Number

5305404

MDL Number

MFCD00043420MFCD18432762

CAS Number

14206-69-0