4-OXO-2-CARBOXYCYCLOHEPTANE
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4-OXO-2-CARBOXYCYCLOHEPTANE
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CAS No:
90482-29-4
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Formula:
C8H12O3
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Chemical Name:
4-OXO-2-CARBOXYCYCLOHEPTANE
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Synonyms:
4-OXOCYCLOHEPTANECARBOXYLIC ACID;4-OXOCYCLOHEPTANE-1-CARBOXYLIC ACID;4-Oxo-cycloheptanecarboxylic acid;cycloheptanone-4-carboxylic acid;DTXSID70695043;ACT10546;AKOS006306615;AS-38194;FT-0647965;X-3096
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CAS No:
Safety Information
|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:156.18
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:156.078644241
Monoisotopic Mass:156.078644241
Topological Polar Surface Area:54.4
Heavy Atom Count:11
Complexity:174
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes