2-CYANO-3-BUTANONE
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2-CYANO-3-BUTANONE
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CAS No:
4468-47-7
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Formula:
C5H7NO
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Chemical Name:
2-CYANO-3-BUTANONE
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Synonyms:
2-CYANO-3-BUTANONE;3-CYANO-2-BUTANONE;α-Acetylpropionitrile;2-METHYL-3-OXOBUTANENITRILE
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CAS No:
Description
3-cyano-2-butanone is a methyl ketone that is butan-2-one substituted by a cyano group at position 3. It has a role as a metabolite. It is a methyl ketone and a nitrile. It derives from a butan-2-one.
Safety Information
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:97.12
XLogP3:0.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:97.052763847
Monoisotopic Mass:97.052763847
Topological Polar Surface Area:40.9
Heavy Atom Count:7
Complexity:119
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes