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1375064-42-8 | 4(3H)-Pyrimidinone, 6-hydroxy-5-(4-methoxyphenoxy)-2-(methylthio)-
CAS No: 1375064-42-8 Catalog No: AG0013E2 MDL No:MFCD22205884
Product Description
Catalog Number:
AG0013E2
Chemical Name:
4(3H)-Pyrimidinone, 6-hydroxy-5-(4-methoxyphenoxy)-2-(methylthio)-
CAS Number:
1375064-42-8
Molecular Formula:
C12H12N2O4S
Molecular Weight:
280.2997
MDL Number:
MFCD22205884
IUPAC Name:
4-hydroxy-5-(4-methoxyphenoxy)-2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H12N2O4S/c1-17-7-3-5-8(6-4-7)18-9-10(15)13-12(19-2)14-11(9)16/h3-6H,1-2H3,(H2,13,14,15,16)
InChI Key:
WHSAWOUGBNZSFN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1c(O)nc([nH]c1=O)SC
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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