3-Cyano-4-methylcoumarin

C₁₁H₇NO₂CAS 24526-69-0185.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₇NO₂
Molar mass: 185.18 g/mol
Exact mass: 185.0477 Da
logP: 1.97Crippen estimate
Polar surface area: 54.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

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

24526-69-0

SMILES

CC1=C(C(=O)OC2=CC=CC=C12)C#N

InChIKey

FFBLBFMTKGSSPY-UHFFFAOYSA-N

InChI

InChI=1S/C11H7NO2/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3

Weigh it out

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Work with 3-Cyano-4-methylcoumarin

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-Cyano-4,6-dimethylcoumarin56394-28-669 % similar 6-Bromo-3-cyano-4-methylcoumarin56394-22-066 % similar 2,3-Dimethylbenzofuran3782-00-147 % similar 3-Cyanocoumarin15119-34-344 % similar 3-Methyl-1-benzofuran-2-carboxylic acid24673-56-142 % similar Dicoumarol66-76-240 % similar 9,10-Dicyanoanthracene1217-45-439 % similar 4-Methylcoumarin607-71-639 % similar

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

Same formula

Benzofuro[2,3-B]pyridin-8-ol1609373-91-2 3-Cyano-6-methylchromone50743-18-5

Elsewhere

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