Ethyl 3-oxocyclohexanecarboxylate
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Ethyl 3-oxocyclohexanecarboxylate
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CAS No:
33668-25-6
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Formula:
C9H14O3
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Chemical Name:
Ethyl 3-oxocyclohexanecarboxylate
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Synonyms:
Cyclohexanecarboxylic acid,3-oxo-,ethyl ester;Ethyl 3-oxocyclohexanecarboxylate;Ethyl cyclohexanone-β-carboxylate;3-Oxocyclohexanecarboxylic acid ethyl ester;3-Cyclohexanonecarboxylic acid ethyl ester;Ethyl (RS)-3-oxocyclohexanecarboxylate;Ethyl 3-oxocyclohexane-1-carboxylate
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CAS No:
Safety Information
41
26-39
Xi
|Warning|H302 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:170.21
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:170.094294304
Monoisotopic Mass:170.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:186
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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