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869891-41-8 | Methyl 2,4-dihydroxy-6-methylpyrimidine-5-carboxylate
CAS No: 869891-41-8 Catalog No: AG004NWW MDL No:MFCD20133912
Product Description
Catalog Number:
AG004NWW
Chemical Name:
Methyl 2,4-dihydroxy-6-methylpyrimidine-5-carboxylate
CAS Number:
869891-41-8
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD20133912
IUPAC Name:
methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C7H8N2O4/c1-3-4(6(11)13-2)5(10)9-7(12)8-3/h1-2H3,(H2,8,9,10,12)
InChI Key:
WMENLTSMANJRGJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)nc(nc1O)O
Properties
Complexity:
319
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:
2
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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