3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate
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3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate
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CAS No:
74367-32-1
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Formula:
C12H24O3
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Chemical Name:
3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate
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Synonyms:
Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester;3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate;74367-32-1;2-(Hydroxymethyl)-1-propylbutyl 2-methylpropanoate #;Isobutyric acid 1-[1-(hydroxymethyl)propyl]butyl ester
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CAS No:
Computed Properties
Molecular Weight:216.32
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:216.17254462
Monoisotopic Mass:216.17254462
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:178
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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