200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 14442-66-1
14442-66-1 | 2-Hexenoic acid, 2-cyano-3-phenyl-, ethyl ester
CAS No: 14442-66-1 Catalog No: AG001JHU MDL No:
Product Description
Catalog Number:
AG001JHU
Chemical Name:
2-Hexenoic acid, 2-cyano-3-phenyl-, ethyl ester
CAS Number:
14442-66-1
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
ethyl 2-cyano-3-phenylhex-2-enoate
InChI:
InChI=1S/C15H17NO2/c1-3-8-13(12-9-6-5-7-10-12)14(11-16)15(17)18-4-2/h5-7,9-10H,3-4,8H2,1-2H3
InChI Key:
PNTUPGXTBBUIRW-UHFFFAOYSA-N
SMILES:
CCCC(=C(C(=O)OCC)C#N)c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.