4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE
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![4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/20fc5f9ae6f44b70b3f98bcd35c5d8b4.png "4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE")
4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE
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CAS No:
123333-69-7
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Formula:
C14H15NO2
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Chemical Name:
4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE
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Synonyms:
4-(2-(1-Methylpyridin-4(1H)-ylidene)ethylidene)cyclohexa-2,5-dienone hydrate; 4-((1-methyl-4(1H)-pyridinylidene)ethyli-dene)-2; (methylpyridinylidene)ethylidene-2,5-cyclohexadien-1-one;
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CAS No:
4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE Basic Attributes
229.27400
229.110278721
Safety Information
R36/37/38
S26; S37/39
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:229.27
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:229.110278721
Monoisotopic Mass:229.110278721
Topological Polar Surface Area:21.3
Heavy Atom Count:17
Complexity:439
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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