3-Cyano-7-hydroxycoumarin

C₁₀H₅NO₃CAS 19088-73-4187.15 g/mol

Open in Covalent MOL file

Nitrile Phenol

Properties

Molecular formula: C₁₀H₅NO₃
Molar mass: 187.15 g/mol
Exact mass: 187.0269 Da
logP: 1.37Crippen estimate
Polar surface area: 74.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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

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