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146532-67-4 | 4(3H)-Pyrimidinone, 6-hydroxy-5-(4-methoxyphenyl)-
CAS No: 146532-67-4 Catalog No: AG001E3C MDL No:
Product Description
Catalog Number:
AG001E3C
Chemical Name:
4(3H)-Pyrimidinone, 6-hydroxy-5-(4-methoxyphenyl)-
CAS Number:
146532-67-4
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
4-hydroxy-5-(4-methoxyphenyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-10(14)12-6-13-11(9)15/h2-6H,1H3,(H2,12,13,14,15)
InChI Key:
PGKRROICYBJQDS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(O)nc[nH]c1=O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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