chempirical

3-Acetamidocoumarin

C11H9NO3CAS 779-30-6203.20 g/mol

Open in Covalent MOL file
OHNOO
Amide

Properties

Molecular formula
C11H9NO3
Molar mass
203.20 g/mol
Exact mass
203.0582 Da
logP
1.75Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
779-30-6
SMILES
CC(=O)NC1=CC2=CC=CC=C2OC1=O
InChIKey
XJYLCCJIDYSFMB-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO3/c1-7(13)12-9-6-8-4-2-3-5-10(8)15-11(9)14/h2-6H,1H3,(H,12,13)

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Work with 3-Acetamidocoumarin

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

3-Acetylcoumarin3949-36-855 % similar Coumarin-3-carboxylic acid531-81-748 % similar 3-Aminocoumarin1635-31-046 % similar 3-Hydroxycoumarin939-19-546 % similar 2-Acetylbenzofuran1646-26-045 % similar 3-Carbethoxycoumarin1846-76-045 % similar 3-(Bromoacetyl)coumarin29310-88-145 % similar 3-Cyanocoumarin15119-34-344 % similar

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

Same formula

5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-4 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-7 Methyl 3-formyl-1H-indole-6-carboxylate133831-28-4 3-Formyl-1H-indole-1-acetic acid138423-98-0 4-Methoxy-2-quinolinecarboxylic acid15733-83-2 2-[(2S)-2-Oxiranylmethyl]-1H-isoindole-1,3(2H)-dione161596-47-0 N-(2-Methoxyphenyl)maleimide17392-68-6 Methyl indolyl-3-glyoxylate18372-22-0

Elsewhere

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