Home Other Building Blocks Methyl sinapate

Methyl sinapate

CAS No.:
20733-94-2
Catalog Number:
AG002J04
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$300
- +
5g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG002J04
Chemical Name:
Methyl sinapate
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
Properties