3-Cyanocoumarin
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3-Cyanocoumarin
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CAS No:
15119-34-3
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Formula:
C10H5NO2
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Chemical Name:
3-Cyanocoumarin
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Synonyms:
2H-1-Benzopyran-3-carbonitrile,2-oxo-;Coumarin,3-cyano-;2-Oxo-2H-1-benzopyran-3-carbonitrile;3-Cyanocoumarin;2-Oxochromene-3-carbonitrile;2-Oxo-2H-chromene-3-carbonitrile
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CAS No:
Characteristics
50.1
1.66468
1.34±0.1 g/cm3(Predicted)
185-186 °C @ Solvent: Ethanol
350.7±21.0 °C(Predicted)
167.2ºC
1.621
Safety Information
3
DJ2218100
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:171.15
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Exact Mass:171.032028402
Monoisotopic Mass:171.032028402
Topological Polar Surface Area:50.1
Heavy Atom Count:13
Complexity:310
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
