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1204296-36-5,MFCD16652766
Catalog No.:AA01AQI5
1204296-36-5 | 3-(4-Methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
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Technical Information
Catalog Number:
AA01AQI5
Chemical Name:
3-(4-Methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
CAS Number:
1204296-36-5
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD16652766
IUPAC Name:
3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H10N2O3/c1-16-9-4-2-8(3-5-9)13-10(14)6-7-12-11(13)15/h2-7H,1H3,(H,12,15)
InChI Key:
ALZSFPZPDWILFL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(=O)cc[nH]c1=O
Properties
Computed Properties
 
Complexity:
319  
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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
3-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione 
1204296-36-5 
ZINC38478060 
AKOS015956091 
MCULE-7600271725 
3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione 
F1967-0644 
3-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione 
L-3372 
Literature
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