(E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER
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(E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER
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CAS No:
96914-67-9
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Formula:
C9H13NO2
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Chemical Name:
(E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER
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Synonyms:
(E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER;2-cyano-5-methylhex-2-enoic acid methyl ester;[e]-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER;SCHEMBL15688613;ZINC21991177;AKOS006289840;methyl (E)-2-cyano-5-methylhex-2-enoate
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CAS No:
(E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER Basic Attributes
167.20502
167.09500
DTXSID90699543
2926909090
Computed Properties
Molecular Weight:167.20
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:167.094628657
Monoisotopic Mass:167.094628657
Topological Polar Surface Area:50.1
Heavy Atom Count:12
Complexity:232
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(E)-2-CYANO-5-METHYL-HEX-2-ENOIC ACID METHYL ESTER
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