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Home Nitriles 5-Acetyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

5-Acetyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

CAS No.:
52600-53-0
Catalog Number:
AG00D8WX
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$155
- +
5g
≥ 98% (HPLC)
1 week
United States
$608
- +
Product Description
Catalog Number:
AG00D8WX
Chemical Name:
5-Acetyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
52600-53-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD00174249
IUPAC Name:
5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C9H8N2O2/c1-5-8(6(2)12)3-7(4-10)9(13)11-5/h3H,1-2H3,(H,11,13)
InChI Key:
BPHCKZKXAHIRPD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)C)c(nc1O)C
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties