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124769-60-4 | 5-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-2-(phenylamino)-
CAS No: 124769-60-4 Catalog No: AG000MPH MDL No:MFCD23136016
Product Description
Catalog Number:
AG000MPH
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-2-(phenylamino)-
CAS Number:
124769-60-4
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD23136016
IUPAC Name:
2-anilino-6-oxo-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C11H9N3O3/c15-9-8(10(16)17)6-12-11(14-9)13-7-4-2-1-3-5-7/h1-6H,(H,16,17)(H2,12,13,14,15)
InChI Key:
SJMUNPNTQZRZOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc([nH]c1=O)Nc1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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