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Home > Pyridines > 1540848-16-5
1540848-16-5 | ethyl 2-cyano-4-(pyridin-3-yl)butanoate
CAS No: 1540848-16-5 Catalog No: AG01B8X2 MDL No:MFCD24160725
Product Description
Catalog Number:
AG01B8X2
Chemical Name:
ethyl 2-cyano-4-(pyridin-3-yl)butanoate
CAS Number:
1540848-16-5
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD24160725
IUPAC Name:
ethyl 2-cyano-4-pyridin-3-ylbutanoate
InChI:
InChI=1S/C12H14N2O2/c1-2-16-12(15)11(8-13)6-5-10-4-3-7-14-9-10/h3-4,7,9,11H,2,5-6H2,1H3
InChI Key:
SQLATHLCIOXLDN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CCc1cccnc1)C#N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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