2-CYANO-3-(2-THIENYL)ACRYLIC ACID
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2-CYANO-3-(2-THIENYL)ACRYLIC ACID
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CAS No:
58177-53-0
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Formula:
C8H5NO2S
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Chemical Name:
2-CYANO-3-(2-THIENYL)ACRYLIC ACID
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Synonyms:
2-Cyano-3-(thien-2-yl)acrylic acid; RARECHEM AK ML 0042; 3-(thien-2-yl)-2-cyanopropenoic acid;
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CAS No:
Computed Properties
Molecular Weight:179.20
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:179.00409958
Monoisotopic Mass:179.00409958
Topological Polar Surface Area:89.3
Heavy Atom Count:12
Complexity:264
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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