3-Cyano-6-methylchromone

C₁₁H₇NO₂CAS 50743-18-5185.18 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

Warning

H312 Harmful in contact with skin11.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled11.4% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

50743-18-5

SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C#N

InChIKey

FNRLRLMPBIRUSQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-Cyano-6-methylchromone

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

6-Chloro-4-oxo-4H-1-benzopyran-3-carbonitrile50743-20-966 % similar 6-Bromochromone-3-carbonitrile52817-13-766 % similar 6-Isopropylchromone-3-carbonitrile50743-32-365 % similar 4-Oxo-4H-chromene-3-carbonitrile50743-17-463 % similar 3-Formyl-6-methylchromone42059-81-456 % similar 3-Cyano-4,6-dimethylcoumarin56394-28-647 % similar 4-Methylphthalonitrile63089-50-945 % similar 6,8-Dichloro-3-cyanochromone72798-32-444 % 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-4-methylcoumarin24526-69-0

Elsewhere

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