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1878-29-1 | 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, ethyl ester
CAS No: 1878-29-1 Catalog No: AG002GI8 MDL No:MFCD00017276
Product Description
Catalog Number:
AG002GI8
Chemical Name:
2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, ethyl ester
CAS Number:
1878-29-1
Molecular Formula:
C14H18O5
Molecular Weight:
266.2897
MDL Number:
MFCD00017276
IUPAC Name:
ethyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C14H18O5/c1-5-19-13(15)7-6-10-8-11(16-2)14(18-4)12(9-10)17-3/h6-9H,5H2,1-4H3/b7-6+
InChI Key:
WZFPTWWCXRADLD-VOTSOKGWSA-N
SMILES:
CCOC(=O)C=Cc1cc(OC)c(c(c1)OC)OC
EC Number:
217-516-9
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
266.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.293g/mol
Monoisotopic Mass:
266.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Novel natural product-based cinnamates and their thio and thiono analogs as potent inhibitors of cell adhesion molecules on human endothelial cells. | European journal of medicinal chemistry 20111101 |
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