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Home Carboxys 1,6-Dimethyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid

1,6-Dimethyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid

CAS No.:
1365963-81-0
Catalog Number:
AG00HUNV
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00HUNV
Chemical Name:
1,6-Dimethyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CAS Number:
1365963-81-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD22056559
IUPAC Name:
1,6-dimethyl-4-oxopyridine-2-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-5-3-6(10)4-7(8(11)12)9(5)2/h3-4H,1-2H3,(H,11,12)
InChI Key:
MEAFNJVXTJKASJ-UHFFFAOYSA-N
SMILES:
O=c1cc(C)n(c(c1)C(=O)O)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties