3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER
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3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER
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CAS No:
23593-51-3
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Formula:
C12H12N2O2S
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Chemical Name:
3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER
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Synonyms:
ethyl 3-anilino-2-cyano-3-sulfanylprop-2-enoate;3-Anilino-2-cyano-3-mercaptoacrylic acid ethyl ester;ethyl 2-cyano-3-phenylazanyl-3-sulfanyl-prop-2-enoate;CTK4F1866;DTXSID60395383;MCULE-6114645985;DB-026050;FT-0638340;A816788;(Z)-ethyl 2-cyano-3-mercapto-3-(phenylamino)acrylate
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CAS No:
3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER Basic Attributes
248.3
248.06200
DTXSID60395383
2930909090
Computed Properties
Molecular Weight:248.30
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:248.06194880
Monoisotopic Mass:248.06194880
Topological Polar Surface Area:63.1
Heavy Atom Count:17
Complexity:351
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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