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20733-94-2 | 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, methyl ester
CAS No: 20733-94-2 Catalog No: AG002J04 MDL No:MFCD00210467
Product Description
Catalog Number:
AG002J04
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, methyl ester
CAS Number:
20733-94-2
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
MDL Number:
MFCD00210467
IUPAC Name:
methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+
InChI Key:
JHLPYWLKSLVYOI-SNAWJCMRSA-N
SMILES:
COC(=O)C=Cc1cc(OC)c(c(c1)OC)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Purification and characterization of a feruloyl esterase from Fusarium oxysporum catalyzing esterification of phenolic acids in ternary water-organic solvent mixtures. | Journal of biotechnology 20030410 |
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