chempirical

3-Cyano-7-hydroxycoumarin

C10H5NO3CAS 19088-73-4187.15 g/mol

Open in Covalent MOL file
HOOON
NitrilePhenol

Properties

Molecular formula
C10H5NO3
Molar mass
187.15 g/mol
Exact mass
187.0269 Da
logP
1.37Crippen estimate
Polar surface area
74.2 Ų
H-bond donors / acceptors
1 / 4
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
19088-73-4
SMILES
C1=CC2=C(C=C1O)OC(=O)C(=C2)C#N
InChIKey
IJQYTHQDUDCJEQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H

Weigh it out

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Work with 3-Cyano-7-hydroxycoumarin

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-Cyanocoumarin15119-34-367 % similar 3-Cyano-7-ethoxycoumarin117620-77-658 % similar 7-Hydroxycoumarin-3-carboxylic acid779-27-153 % similar Umbelliferone93-35-650 % similar Urolithin B1139-83-949 % similar Urolithin A1143-70-048 % similar 4-Hydroxybenzene-1,2-dicarbonitrile30757-50-746 % similar 6-Hydroxycoumarin6093-68-145 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook