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14383-42-7 | 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-
CAS No: 14383-42-7 Catalog No: AG001IGH MDL No:MFCD20502929
Product Description
Catalog Number:
AG001IGH
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-
CAS Number:
14383-42-7
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD20502929
IUPAC Name:
1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H6N2O4/c1-8-2-3(5(10)11)4(9)7-6(8)12/h2H,1H3,(H,10,11)(H,7,9,12)
InChI Key:
POFQIFXCMBGLKO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(C)c(=O)[nH]c1=O
Properties
Complexity:
294
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:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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