5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadienyl]-8-hydroxy-7-methylisoquinolin-6(2H)-one
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![5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadienyl]-8-hydroxy-7-methylisoquinolin-6(2H)-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/76a675b9036c4c37962359f7acba9211.png "5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadienyl]-8-hydroxy-7-methylisoquinolin-6(2H)-one")
5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadienyl]-8-hydroxy-7-methylisoquinolin-6(2H)-one
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CAS No:
34695-80-2
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Formula:
C19H22ClNO2
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Chemical Name:
5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadienyl]-8-hydroxy-7-methylisoquinolin-6(2H)-one
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Synonyms:
5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadienyl]-8-hydroxy-7-methylisoquinolin-6(2H)-one;Aposclerotioramine;6(2H)-Isoquinolinone, 5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-7-methyl-
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CAS No:
5-Chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadienyl]-8-hydroxy-7-methylisoquinolin-6(2H)-one Basic Attributes
331.84
331.1339066
Characteristics
1.19±0.1 g/cm3
228-230 °C (decomp)(Solv: methanol (67-56-1))
454.8±45.0 °C(Predicted)
4.53±0.70
Computed Properties
Molecular Weight:331.8
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:331.1339066
Monoisotopic Mass:331.1339066
Topological Polar Surface Area:53.4
Heavy Atom Count:23
Complexity:451
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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