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5193-84-0 | 4,6-Dihydroxy-5-methoxypyrimidine
CAS No: 5193-84-0 Catalog No: AG0038OA MDL No:
Product Description
Catalog Number:
AG0038OA
Chemical Name:
4,6-Dihydroxy-5-methoxypyrimidine
CAS Number:
5193-84-0
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
IUPAC Name:
4-hydroxy-5-methoxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H6N2O3/c1-10-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChI Key:
JSEPQQUEVRZWST-UHFFFAOYSA-N
SMILES:
COc1c(O)ncnc1O
Properties
Complexity:
219
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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