3-Amino-2-hydroxy-5-sulfobenzoic acid

C₇H₇NO₆SCAS 6201-86-1233.19 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine Sulfonic acid

Properties

Molecular formula: C₇H₇NO₆S
Molar mass: 233.19 g/mol
Exact mass: 232.9994 Da
logP: -0.08Crippen estimate
Polar surface area: 137.9 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

6201-86-1

SMILES

Nc1cc(S(=O)(=O)O)cc(C(=O)O)c1O

InChIKey

ZLTOYIGWKLTQBJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO6S/c8-5-2-3(15(12,13)14)1-4(6(5)9)7(10)11/h1-2,9H,8H2,(H,10,11)(H,12,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzoic acid, 3-amino-2-hydroxy-5-sulfo-
Salicylic acid, 3-amino-5-sulfo-
3-Amino-5-sulfosalicylic acid
3-Amino-4-hydroxy-5-carboxybenzenesulfonic acid

Work with 3-Amino-2-hydroxy-5-sulfobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4-sulfobenzoic acid98-43-167 % similar 5-Sulfoanthranilic acid3577-63-765 % similar 2-Aminophenol-4,6-disulfonic acid120-98-959 % similar 4-Sulfophthalic acid89-08-755 % similar 5-Sulfosalicylic acid97-05-255 % similar 3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid40306-75-054 % similar Sulfoisophthalic acid22326-31-451 % similar Sulfosalicylic acid dihydrate5965-83-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook