200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 2025-40-3
2025-40-3 | ALPHA-CYANOCINNAMIC ACID ETHYL ESTER
CAS No: 2025-40-3 Catalog No: AG003NS2 MDL No:MFCD00009137
Product Description
Catalog Number:
AG003NS2
Chemical Name:
ALPHA-CYANOCINNAMIC ACID ETHYL ESTER
CAS Number:
2025-40-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD00009137
IUPAC Name:
ethyl (E)-2-cyano-3-phenylprop-2-enoate
InChI:
InChI=1S/C12H11NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3/b11-8+
InChI Key:
KCDAMWRCUXGACP-DHZHZOJOSA-N
SMILES:
CCOC(=O)/C(=C\c1ccccc1)/C#N
EC Number:
217-972-9
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
© 2019 Angene International Limited. All rights Reserved.