200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 86213-20-9
86213-20-9 | 2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-
CAS No: 86213-20-9 Catalog No: AG004K2L MDL No:
Product Description
Catalog Number:
AG004K2L
Chemical Name:
2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-
CAS Number:
86213-20-9
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C12H11NO4/c1-16-10-4-3-8(6-11(10)17-2)5-9(7-13)12(14)15/h3-6H,1-2H3,(H,14,15)/b9-5+
InChI Key:
DMACYVMZKYRYSL-WEVVVXLNSA-N
SMILES:
N#CC(=Cc1ccc(c(c1)OC)OC)C(=O)O
EC Number:
609-453-4
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.