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1194-74-7 | 4(3H)-Pyrimidinone, 6-hydroxy-2,5-dimethyl-
CAS No: 1194-74-7 Catalog No: AG000IPI MDL No:MFCD02685061
Product Description
Catalog Number:
AG000IPI
Chemical Name:
4(3H)-Pyrimidinone, 6-hydroxy-2,5-dimethyl-
CAS Number:
1194-74-7
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD02685061
IUPAC Name:
4-hydroxy-2,5-dimethyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H8N2O2/c1-3-5(9)7-4(2)8-6(3)10/h1-2H3,(H2,7,8,9,10)
InChI Key:
PLDSMEIYCNSPIC-UHFFFAOYSA-N
SMILES:
Cc1nc(O)c(c(=O)[nH]1)C
NSC Number:
40214
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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