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202197-51-1,MFCD16652662
Catalog No.:AA01AQBN
202197-51-1 | 3-(4-Methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
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Technical Information
Catalog Number:
AA01AQBN
Chemical Name:
3-(4-Methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CAS Number:
202197-51-1
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
MDL Number:
MFCD16652662
IUPAC Name:
3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C12H10N2O5/c1-19-8-4-2-7(3-5-8)14-10(15)9(11(16)17)6-13-12(14)18/h2-6H,1H3,(H,13,18)(H,16,17)
InChI Key:
MIDSCLPKENAFSY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(=O)[nH]cc(c1=O)C(=O)O
Properties
Computed Properties
 
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
202197-51-1 
3-(4-methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 
ZINC26420335 
AKOS005207548 
MCULE-5595604656 
L-3897 
F1967-0265 
1-(4-methoxyphenyl)-2,6-dioxo-3H-pyrimidine-5-carboxylic acid 
3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid 
Literature
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