200,000+ products from a single source!
sales@angenechem.com
10036-20-1 | Benzenepropanoic acid, 3-cyano-, ethyl ester
CAS No: 10036-20-1 Catalog No: AG0001PB MDL No:MFCD08234832
Product Description
Catalog Number:
AG0001PB
Chemical Name:
Benzenepropanoic acid, 3-cyano-, ethyl ester
CAS Number:
10036-20-1
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD08234832
IUPAC Name:
ethyl 3-(3-cyanophenyl)propanoate
InChI:
InChI=1S/C12H13NO2/c1-2-15-12(14)7-6-10-4-3-5-11(8-10)9-13/h3-5,8H,2,6-7H2,1H3
InChI Key:
PWFWAGCVZPXYFZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1cccc(c1)C#N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.