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Home > Pyridines > 898776-54-0
898776-54-0 | ETHYL 5-OXO-5-(2-PYRIDYL)VALERATE
CAS No: 898776-54-0 Catalog No: AG00GZ6F MDL No:MFCD01320355
Product Description
Catalog Number:
AG00GZ6F
Chemical Name:
ETHYL 5-OXO-5-(2-PYRIDYL)VALERATE
CAS Number:
898776-54-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD01320355
IUPAC Name:
ethyl 5-oxo-5-pyridin-2-ylpentanoate
InChI:
InChI=1S/C12H15NO3/c1-2-16-12(15)8-5-7-11(14)10-6-3-4-9-13-10/h3-4,6,9H,2,5,7-8H2,1H3
InChI Key:
VEVIQHGEWGSAPH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccccn1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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