2-cyano-4-methylpentanoic acid
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2-cyano-4-methylpentanoic acid
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CAS No:
18283-41-5
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Formula:
C7H11NO2
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Chemical Name:
2-cyano-4-methylpentanoic acid
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Synonyms:
2-Cyano-4-methylpentanoic acid;18283-41-5;NSC80747;2-cyano-4-methyl-pentanoic acid;NSC 80747;SCHEMBL15280;Pentanoic acid, 2-cyano-4-methyl-;NSC-80747;AKOS012576399;DS-013167
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CAS No:
Computed Properties
Molecular Weight:141.17
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:141.078978594
Monoisotopic Mass:141.078978594
Topological Polar Surface Area:61.1
Heavy Atom Count:10
Complexity:166
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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