4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanone
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4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanone
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CAS No:
40790-02-1
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Formula:
C13H22OS
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Chemical Name:
4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanone
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Synonyms:
2-Butanone,4-mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanone;β-Iononethiol;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-mercapto-3-butanone;4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one
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CAS No:
4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanone Basic Attributes
226.37800
226.38
255-083-8
Computed Properties
Molecular Weight:226.38
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:226.13913649
Monoisotopic Mass:226.13913649
Topological Polar Surface Area:18.1
Heavy Atom Count:15
Complexity:289
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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