Salicyluric acid

C₉H₉NO₄CAS 487-54-7195.17 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₉H₉NO₄
Molar mass: 195.17 g/mol
Exact mass: 195.0532 Da
Melting point: 168 °C
logP: 0.78Crippen estimate
Polar surface area: 90.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Identifiers

CAS number

487-54-7

SMILES

O=C(O)CN=C(O)c1ccccc1O

InChIKey

ONJSZLXSECQROL-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)

Weigh it out

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

Names and synonyms

12 names

Glycine, N-(2-hydroxybenzoyl)-
Hippuric acid, o-hydroxy-
N-(2-Hydroxybenzoyl)glycine
o-Hydroxyhippuric acid
(2-Hydroxybenzoyl)glycine
N-Salicyloylglycine
Salicyloylglycine
N-(o-Hydroxybenzoyl)glycine
2-Hydroxyhippuric acid
NSC 524135
2-[(2-Hydroxyphenyl)formamido]acetic acid
2-(2-Hydroxybenzamido)acetic acid

Work with Salicyluric 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

N-(2-Iodobenzoyl)glycine147-58-066 % similar Methylhippuric acid42013-20-766 % similar Methenamine hippurate5714-73-855 % similar Salicylhydroxamic acid89-73-653 % similar Salicylanilide87-17-251 % similar o-Hydroxylbenzhydrazide936-02-751 % similar Nicotinuric acid583-08-449 % similar 3-Methylhippuric acid27115-49-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 Salicylamide O-acetic acid25395-22-6

Elsewhere

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