Ethyl 2-cyano-2-ethyl-3-methylhexanoate
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Ethyl 2-cyano-2-ethyl-3-methylhexanoate
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CAS No:
100453-11-0
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Formula:
C12H21NO2
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Chemical Name:
Ethyl 2-cyano-2-ethyl-3-methylhexanoate
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Synonyms:
Hexanoic acid,2-cyano-2-ethyl-3-methyl-,ethyl ester;Ethyl 2-cyano-2-ethyl-3-methylhexanoate
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CAS No:
Ethyl 2-cyano-2-ethyl-3-methylhexanoate Basic Attributes
211.30100
211.30
700-063-0
DTXSID80670482
2926909090
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:211.30
XLogP3:3.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:211.157228913
Monoisotopic Mass:211.157228913
Topological Polar Surface Area:50.1
Heavy Atom Count:15
Complexity:254
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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