Ethyl γ-cyano-γ-methylbenzenebutanoate
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Ethyl γ-cyano-γ-methylbenzenebutanoate
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CAS No:
2572-92-1
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Formula:
C14H17NO2
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Chemical Name:
Ethyl γ-cyano-γ-methylbenzenebutanoate
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Synonyms:
Benzenebutanoic acid,γ-cyano-γ-methyl-,ethyl ester;Valeric acid,4-cyano-4-phenyl-,ethyl ester;Ethyl γ-cyano-γ-methylbenzenebutanoate;NSC 163289
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CAS No:
Safety Information
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:231.29
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:231.125928785
Monoisotopic Mass:231.125928785
Topological Polar Surface Area:50.1
Heavy Atom Count:17
Complexity:299
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl γ-cyano-γ-methylbenzenebutanoate
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