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4869-45-8 | 1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLIC ACID
CAS No: 4869-45-8 Catalog No: AG003DKA MDL No:MFCD09901808
Product Description
Catalog Number:
AG003DKA
Chemical Name:
1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLIC ACID
CAS Number:
4869-45-8
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD09901808
IUPAC Name:
1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O4/c1-8-3-4(6(11)12)5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)
InChI Key:
OQOZKHDSUDJUDR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(C)c(=O)n(c1=O)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:
-0.3
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