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88302-07-2 | 3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-
CAS No: 88302-07-2 Catalog No: AG0049H6 MDL No:
Product Description
Catalog Number:
AG0049H6
Chemical Name:
3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-
CAS Number:
88302-07-2
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
6-ethyl-2-oxo-5-propanoyl-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C11H13NO4/c1-3-8-6(9(13)4-2)5-7(11(15)16)10(14)12-8/h5H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChI Key:
YHDKUXJBSHEMTQ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(C(=O)O)c(=O)[nH]c1CC
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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