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116460-89-0

116460-89-0 | Benzenepropanoic acid, 4-cyano-, ethyl ester

CAS No: 116460-89-0 Catalog No: AG000CJP MDL No:MFCD08234822

Product Description

Catalog Number:
AG000CJP
Chemical Name:
Benzenepropanoic acid, 4-cyano-, ethyl ester
CAS Number:
116460-89-0
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD08234822
IUPAC Name:
ethyl 3-(4-cyanophenyl)propanoate
InChI:
InChI=1S/C12H13NO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-6H,2,7-8H2,1H3
InChI Key:
HMUZQCWYRBYXOT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccc(cc1)C#N

Properties

Complexity:
246  
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:
2.4  

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