CAS
118971-00-9 Purity
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118971-00-9 Purity
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2-Propenoic acid,3-(3,4-dihydroxyphenyl)-,3-methyl-2-buten-1-yl ester,(2E)-
CAS
118971-61-2
Catalog Number
ACM118971612
Category
Other Products
Molecular Weight
248.276
Molecular Formula
C14H16O4
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Specification
Synonyms
KAFFEESURE-1,1-DIMETHYLALLYLESTER; isopentenyl caffeate; prenyl caffeate; 1,1-Dimethylallyl caffeate,1,1-Dimethylallyl caffeic acid ester,3-Methyl-2-butenyl caffeate; Caffeic acid 1,1-dimethylallyl ester; 3,3-dimethylallyl caffeate;
IUPAC Name
3-methylbut-2-enyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES
CC(=CCOC(=O)C=CC1=CC(=C(C=C1)O)O)C
InChI Key
TTYOHMFLCXENHR-GQCTYLIASA-N
Boiling Point
417.5ºC at 760mmHg
Flash Point
156.1ºC
Density
1.201g/cm³
Exact Mass
248.10500
H-Bond Acceptor
4
H-Bond Donor
2
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