E-Caffeic acid isoprpyl ester
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E-Caffeic acid isoprpyl ester
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CAS No:
845883-03-6
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Formula:
C12H14O4
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Chemical Name:
E-Caffeic acid isoprpyl ester
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Synonyms:
isopropyl caffeate;CHEMBL481890;Isopropyl 3-(3,4-Dihydroxyphenyl)Acrylate;E-CAFFEIC ACID ISOPRPYL ESTER;Caffeic acid isopropylester;SCHEMBL1876829;Propan-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;BDBM50479624;(E)-isopropyl 3-(3,4-dihydroxyphenyl)acrylate;isopropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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CAS No:
Computed Properties
Molecular Weight:222.24
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:66.8
Heavy Atom Count:16
Complexity:260
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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