Home Carboxys 1-(4,6-DiMethylpyriMidin-2-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

1-(4,6-DiMethylpyriMidin-2-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS No.:
1208773-19-6
Catalog Number:
AG0094TF
Molecular Formula:
C10H10N4O3
Molecular Weight:
234.2114
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Product Description
Catalog Number:
AG0094TF
Chemical Name:
1-(4,6-DiMethylpyriMidin-2-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CAS Number:
1208773-19-6
Molecular Formula:
C10H10N4O3
Molecular Weight:
234.2114
MDL Number:
MFCD13196007
IUPAC Name:
2-(4,6-dimethylpyrimidin-2-yl)-3-oxo-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C10H10N4O3/c1-5-3-6(2)12-10(11-5)14-8(15)4-7(13-14)9(16)17/h3-4,13H,1-2H3,(H,16,17)
InChI Key:
CKLJGCAPQWFMTB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(=O)n([nH]1)c1nc(C)cc(n1)C
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.215g/mol
Monoisotopic Mass:
234.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties