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28141-13-1 | 1-Ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 28141-13-1 Catalog No: AG003EAG MDL No:MFCD00142624
Product Description
Catalog Number:
AG003EAG
Chemical Name:
1-Ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
28141-13-1
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD00142624
IUPAC Name:
1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C9H10N2O2/c1-3-11-8(12)4-6(2)7(5-10)9(11)13/h4,13H,3H2,1-2H3
InChI Key:
YSNMMQRIPFUHAO-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(n(c1=O)CC)O
EC Number:
248-865-5
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| An azo dye molecule having a pyridine-2,6-dione backbone. | Acta crystallographica. Section C, Crystal structure communications 20060201 |
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