2-Pentenoic acid, 2-cyano-3-methyl-, ethyl ester
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2-Pentenoic acid, 2-cyano-3-methyl-, ethyl ester
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CAS No:
759-51-3
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Formula:
C9H13NO2
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Chemical Name:
2-Pentenoic acid, 2-cyano-3-methyl-, ethyl ester
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Synonyms:
2-Pentenoic acid,2-cyano-3-methyl-,ethyl ester;Ethyl 2-cyano-3-methyl-2-pentenoate;NSC 67978
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CAS No:
Characteristics
50.09000
1.79958
1.0001 g/cm3 @ Temp: 25 °C
27 °C
116-118 °C @ Press: 11 Torr
113.8ºC
1.452
2-Pentenoic acid, 2-cyano-3-methyl-, ethyl ester Use and Manufacturing
Intermediate in the preparation of Ethosuximide.
Computed Properties
Molecular Weight:167.20
XLogP3:2.3
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:245
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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