9-Acridinecarboxylic acid hydrate

C₁₄H₁₁NO₃CAS 332927-03-4241.25 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₄H₁₁NO₃
Molar mass: 241.25 g/mol
Exact mass: 241.0739 Da
logP: 2.26Crippen estimate
Polar surface area: 81.7 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

332927-03-4

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)O.O

InChIKey

ZQAZWHSZYVXGMP-UHFFFAOYSA-N

InChI

InChI=1S/C14H9NO2.H2O/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,(H,16,17);1H2

Weigh it out

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

Work with 9-Acridinecarboxylic acid hydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acridine-9-carboxylic acid5336-90-3Anhydrous

Similar compounds

3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-759 % similar Bicinchoninic acid1245-13-254 % similar 9-Anthracenecarboxylic acid723-62-653 % similar 2-Hydroxycinchoninic acid15733-89-851 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-250 % similar 2-Methyl-quinoline-4-carboxylic acid634-38-850 % similar 2-(2-Chlorophenyl)quinoline-4-carboxylic acid20389-09-748 % similar 4-Methoxy-2-quinolinecarboxylic acid15733-83-248 % similar

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

Same formula

2-(2-Aminobenzoyl)benzoic acid1147-43-9 Phthalanilic acid4727-29-1

Elsewhere

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