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1247803-01-5 | 3-Pyridinecarboxylic acid, 1,6-dihydro-2,4-dimethyl-6-oxo-1-propyl-
CAS No: 1247803-01-5 Catalog No: AG000MPY MDL No:
Product Description
Catalog Number:
AG000MPY
Chemical Name:
3-Pyridinecarboxylic acid, 1,6-dihydro-2,4-dimethyl-6-oxo-1-propyl-
CAS Number:
1247803-01-5
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxylic acid
InChI:
InChI=1S/C11H15NO3/c1-4-5-12-8(3)10(11(14)15)7(2)6-9(12)13/h6H,4-5H2,1-3H3,(H,14,15)
InChI Key:
SAJCBPIIVUSGNK-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)cc(c(c1C)C(=O)O)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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