3-(4-hydroxy-4-methylpentan-2-yl)oxypropanenitrile
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3-(4-hydroxy-4-methylpentan-2-yl)oxypropanenitrile
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CAS No:
10141-15-8
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Formula:
C9H17NO2
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Chemical Name:
3-(4-hydroxy-4-methylpentan-2-yl)oxypropanenitrile
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Synonyms:
10141-15-8;BRN 1755973;4-Cyanoethoxy-2-methyl-2-pentanol;2-Pentanol, 4-cyanoethoxy-2-methyl-;3-03-00-00542 (Beilstein Handbook Reference);DTXSID70906146;3-(3-Hydroxy-1,3-dimethylbutoxy)propanenitrile;3-[(4-hydroxy-4-methylpentan-2-yl)oxy]propanenitrile
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CAS No:
3-(4-hydroxy-4-methylpentan-2-yl)oxypropanenitrile Basic Attributes
171.24 g/mol
171.125928785 g/mol
Computed Properties
Molecular Weight:171.24
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:171.125928785
Monoisotopic Mass:171.125928785
Topological Polar Surface Area:53.2
Heavy Atom Count:12
Complexity:169
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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