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130841-04-2,MFCD16631567
Catalog No.:AA01AQGB
130841-04-2 | 6-(4-Methoxyphenyl)pyrimidin-4-ol
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01AQGB
Chemical Name:
6-(4-Methoxyphenyl)pyrimidin-4-ol
CAS Number:
130841-04-2
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD16631567
IUPAC Name:
4-(4-methoxyphenyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H10N2O2/c1-15-9-4-2-8(3-5-9)10-6-11(14)13-7-12-10/h2-7H,1H3,(H,12,13,14)
InChI Key:
PDXQDTVTMJFNNX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ncnc(c1)O
Properties
Computed Properties
 
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
6-(4-methoxyphenyl)pyrimidin-4-ol 
130841-04-2 
ZINC26420675 
AKOS005208535 
MCULE-8811458228 
L-3357 
6-(4-Methoxyphenyl)-3,4-dihydropyrimidine-4-one 
F1967-0483 
Literature
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