3-(3-Amino-2-hydroxyphenyl)benzoic acid

C₁₃H₁₁NO₃CAS 376592-93-7229.23 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₁₃H₁₁NO₃
Molar mass: 229.23 g/mol
Exact mass: 229.0739 Da
logP: 2.34Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

376592-93-7

SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)N)O

InChIKey

ZXLYSSHNDUXXIN-UHFFFAOYSA-N

InChI

InChI=1S/C13H11NO3/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)13(16)17/h1-7,15H,14H2,(H,16,17)

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Names and synonyms

1 names

3''-Amino-2''-hydroxy-biphenyl-3-carboxylic acid

Work with 3-(3-Amino-2-hydroxyphenyl)benzoic 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′-Hydroxy-3′-nitro[1,1′-biphenyl]-3-carboxylic acid376591-95-660 % similar 2'-Chloro-biphenyl-3-carboxylic acid168619-03-259 % similar 2'-Fluorobiphenyl-3-carboxylic acid103978-23-056 % similar 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-156 % similar 3-Aminosalicylic acid570-23-055 % similar [1,1′-Biphenyl]-3-carboxylic acid716-76-754 % similar 3'-Methyl-biphenyl-3-carboxylic acid158619-46-652 % similar 2'-Trifluoromethyl-biphenyl-3-carboxylic acid168618-48-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenyl 4-aminosalicylate133-11-9 4-Methoxy-4'-nitrobiphenyl2143-90-0 Osalmid526-18-1

Elsewhere

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