N-caffeoyl-4-aminobutyric acid
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N-caffeoyl-4-aminobutyric acid
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CAS No:
110882-10-5
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Formula:
C13H15NO5
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Chemical Name:
N-caffeoyl-4-aminobutyric acid
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Synonyms:
4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]amino]butanoic acid; 4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]amino]butanoic acid; N-Caffeoyl-4-amino-n-butyric acid; 4-(3-(3,4-Dihydroxyphenyl)acrylamido)butanoic acid;
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CAS No:
Computed Properties
Molecular Weight:265.26
XLogP3:0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:265.09502258
Monoisotopic Mass:265.09502258
Topological Polar Surface Area:107
Heavy Atom Count:19
Complexity:342
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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