3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
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![3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b71e1cd5efa74dffb0373f93ee96eb5d.png "3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one")
3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
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CAS No:
7599-99-7
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Formula:
C17H24O4
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Chemical Name:
3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
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Synonyms:
7599-99-7;2,2'-methanediylbis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one);MLS000081890;Enamine_000203;Cambridge id 5140907;Oprea1_640546;CBDivE_003679;CHEMBL1389730;HMS1394J05;HMS2430L08;ZINC4197937;2,2'-METHYLENEBIS(5,5-DIMETHYL-3-HYDROXY-2-CYCLOHEXEN-1-ONE);STK112784;AKOS001031967;MCULE-7436540606;3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one;SMR000060051;SR-01000530566;SR-01000530566-1;Z56763064;bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)methane;2,2'-Methylenebis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one);2-Cyclohex-1-one, 5,5-dimethyl-3-hydroxy-, 1,1'-methylenebis
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CAS No:
3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one Basic Attributes
292.4 g/mol
292.16745924 g/mol
Safety Information
|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:292.4
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:292.16745924
Monoisotopic Mass:292.16745924
Topological Polar Surface Area:74.6
Heavy Atom Count:21
Complexity:511
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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