chempirical

Naphthalamic acid

C12H9NO3CAS 5811-88-1215.21 g/mol

Open in Covalent MOL file
NH2OOHO
Carboxylic acid

Properties

Molecular formula
C12H9NO3
Molar mass
215.21 g/mol
Exact mass
215.0582 Da
Melting point
245 °C
logP
2.42Crippen estimate
Polar surface area
81.4 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2

Identifiers

CAS number
5811-88-1
SMILES
N=C(O)c1cccc2cccc(C(=O)O)c12
InChIKey
GRVIMBYDMARKEZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO3/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,(H2,13,14)(H,15,16)

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Names and synonyms

2 names
  • 1-Naphthalenecarboxylic acid, 8-(aminocarbonyl)-
  • 8-(Aminocarbonyl)-1-naphthalenecarboxylic acid

Work with Naphthalamic 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

Phthalamic acid88-97-165 % similar 8-Bromo-1-naphthalenecarboxylic acid1729-99-362 % similar 1-Naphthalenecarboxamide2243-81-453 % similar 1-Naphthoic acid86-55-553 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-250 % similar Hemimellitic acid569-51-750 % similar Phthalamide88-96-050 % similar Phthalic acid88-99-350 % similar

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

Same formula

N-(4-Acetylphenyl)maleimide1082-85-5 3-Cyano-7-ethoxycoumarin117620-77-6 2-Nitrodiphenyl ether2216-12-8 2-Phenoxynicotinic acid35620-71-4 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-7 1-Nitro-4-phenoxybenzene620-88-2 4-Phenyl-2-nitrophenol885-82-5

Elsewhere

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