200,000+ products from a single source!
sales@angenechem.com
131379-33-4 | Benzenebutanoic acid, 4-cyano-, ethyl ester
CAS No: 131379-33-4 Catalog No: AG000W1V MDL No:
Product Description
Catalog Number:
AG000W1V
Chemical Name:
Benzenebutanoic acid, 4-cyano-, ethyl ester
CAS Number:
131379-33-4
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
ethyl 4-(4-cyanophenyl)butanoate
InChI:
InChI=1S/C13H15NO2/c1-2-16-13(15)5-3-4-11-6-8-12(10-14)9-7-11/h6-9H,2-5H2,1H3
InChI Key:
ZORSOGWZLSCDQV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCc1ccc(cc1)C#N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.