heptan-2-yl 3-hydroxybutanoate
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heptan-2-yl 3-hydroxybutanoate
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CAS No:
30956-43-5
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Formula:
C11H22O3
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Chemical Name:
heptan-2-yl 3-hydroxybutanoate
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Synonyms:
30956-43-5;1-Methylhexyl beta-oxybutyrate;BRN 1860140;heptan-2-yl 3-hydroxybutanoate;3-Hydroxybutyric acid, 2-heptyl ester;BUTYRIC ACID, 3-HYDROXY-, 2-HEPTYL ESTER;DTXSID70953099;3-Hydroxybutyric acid 1-methylhexyl ester
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CAS No:
Computed Properties
Molecular Weight:202.29
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:202.15689456
Monoisotopic Mass:202.15689456
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:157
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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