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Home Carboxys 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

CAS No.:
4116-38-5
Catalog Number:
AG00BZW6
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00BZW6
Chemical Name:
1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
CAS Number:
4116-38-5
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD00090746
IUPAC Name:
1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H8N2O4/c1-8-4(6(11)12)3-5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)
InChI Key:
ZXDYFTWNWCMEOS-UHFFFAOYSA-N
SMILES:
O=c1cc(C(=O)O)n(c(=O)n1C)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Surprisingly low aqueous acidity at the alpha-positions of pyridiniums and pyrimidinium: the role of solvation. Organic letters 20080703
Accelerated decarboxylation of 1,3-dimethylorotic acid in ionic liquid. Bioorganic chemistry 20060401
Properties