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15512-57-9 | 2,4(1H,3H)-Pyrimidinedione, 1-hydroxy-6-methyl-
CAS No: 15512-57-9 Catalog No: AG001NNA MDL No:
Product Description
Catalog Number:
AG001NNA
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-hydroxy-6-methyl-
CAS Number:
15512-57-9
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
IUPAC Name:
1-hydroxy-6-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C5H6N2O3/c1-3-2-4(8)6-5(9)7(3)10/h2,10H,1H3,(H,6,8,9)
InChI Key:
DUUHHKZZTACEIW-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]c(=O)n1O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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