Home Other Building Blocks 2-Cyano-3-phenyl-acrylic acid methyl ester

2-Cyano-3-phenyl-acrylic acid methyl ester

CAS No.:
14533-86-9
Catalog Number:
AG001KT5
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$94
- +
5g
95%
In Stock USA
United States
$244
- +
10g
95%
In Stock USA
United States
$363
- +
25g
95%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG001KT5
Chemical Name:
2-Cyano-3-phenyl-acrylic acid methyl ester
CAS Number:
14533-86-9
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD00025864
IUPAC Name:
methyl (E)-2-cyano-3-phenylprop-2-enoate
InChI:
InChI=1S/C11H9NO2/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChI Key:
XLNFLJOWTRDNCX-JXMROGBWSA-N
SMILES:
COC(=O)/C(=C/c1ccccc1)/C#N
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Nature chemical biology 20120501
Properties