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Home Carboxys 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid methyl ester

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid methyl ester

CAS No.:
42821-92-1
Catalog Number:
AG00BZD8
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$75
- +
25g
97%
In Stock USA
United States
$225
- +
100g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00BZD8
Chemical Name:
1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid methyl ester
CAS Number:
42821-92-1
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD06203889
IUPAC Name:
methyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C6H6N2O4/c1-12-5(10)3-2-7-6(11)8-4(3)9/h2H,1H3,(H2,7,8,9,11)
InChI Key:
LNFWHIMRFZBBFO-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c(=O)[nH]c1=O
NSC Number:
602880
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
New uracil dimers showing erythroid differentiation inducing activities. Journal of medicinal chemistry 20090108
Properties