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22971-47-7 | 3-Pyridinepentanoic acid, δ-oxo-, ethyl ester
CAS No: 22971-47-7 Catalog No: AG002LQN MDL No:
Product Description
Catalog Number:
AG002LQN
Chemical Name:
3-Pyridinepentanoic acid, δ-oxo-, ethyl ester
CAS Number:
22971-47-7
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
ethyl 5-oxo-5-pyridin-3-ylpentanoate
InChI:
InChI=1S/C12H15NO3/c1-2-16-12(15)7-3-6-11(14)10-5-4-8-13-9-10/h4-5,8-9H,2-3,6-7H2,1H3
InChI Key:
RIZVLYOSIGTCNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1cccnc1
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
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