1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
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1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
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CAS No:
21962-62-9
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Formula:
C9H14O2
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Chemical Name:
1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
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Synonyms:
(2-hydroxymethylcyclohexyl)acetic acid lactone;CIC-4;Octahydrobenzopyran-3-one;21962-62-9;3H-2-Benzopyran-3-one, octahydro-;UNII-I081SP102B;I081SP102B;(2-Hydroxymethyl-cyclohexyl)-acetic acid lactone;(2-Hydroxymethylcyclohexyl)acetic acid lactone;CIC-4;1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one;SCHEMBL195524;DTXSID1034268;3oxooctahydro-1 h-2-benzopyrane;octahydro-3H-2-benzopyran-3-one;Octahydro-3H-isochromen-3-one #;LMFA07040018;NSC134787;NSC 134787;NSC-134787;(rac)-octahydro-3H-2-benzopyran-3-one;DB-119970;Q27280192
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CAS No:
1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one Basic Attributes
154.21 g/mol
154.099379685 g/mol
I081SP102B
134787
DTXSID1034268
1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one Use and Manufacturing
Fatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
Computed Properties
Molecular Weight:154.21
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Exact Mass:154.099379685
Monoisotopic Mass:154.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:165
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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