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19710-89-5 | 2,6(1H,3H)-Pyridinedione, 4-acetyl-3-(3-methyl-1-oxobutyl)-
CAS No: 19710-89-5 Catalog No: AG002ALQ MDL No:
Product Description
Catalog Number:
AG002ALQ
Chemical Name:
2,6(1H,3H)-Pyridinedione, 4-acetyl-3-(3-methyl-1-oxobutyl)-
CAS Number:
19710-89-5
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione
InChI:
InChI=1S/C12H15NO4/c1-6(2)4-9(15)11-8(7(3)14)5-10(16)13-12(11)17/h5-6,11H,4H2,1-3H3,(H,13,16,17)
InChI Key:
RUHLKMKXLBTQDY-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C1C(=O)NC(=O)C=C1C(=O)C)C
NSC Number:
154010
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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