2-cyano-3-methylbutanoic acid
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2-cyano-3-methylbutanoic acid
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CAS No:
22426-27-3
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Formula:
C6H9NO2
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Chemical Name:
2-cyano-3-methylbutanoic acid
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Synonyms:
2-cyano-3-methylbutanoic acid;2-Cyano-3-methylbutyric acid;22426-27-3;Butanoic acid,2-cyano-3-methyl-;cyanoisovaleric acid;NSC80743;SCHEMBL658967;DTXSID30292193;CCG-40380;MFCD12022610;NSC-80743;AKOS012576354;DS-000905
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CAS No:
2-cyano-3-methylbutanoic acid Basic Attributes
127.14 g/mol
127.063328530 g/mol
80743
DTXSID30292193
Computed Properties
Molecular Weight:127.14
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:127.063328530
Monoisotopic Mass:127.063328530
Topological Polar Surface Area:61.1
Heavy Atom Count:9
Complexity:154
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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