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Home Other Building Blocks 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS No.:
926223-39-4
Catalog Number:
AG019LLF
Molecular Formula:
C13H16N4O2
Molecular Weight:
260.2917
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Product Description
Catalog Number:
AG019LLF
Chemical Name:
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
CAS Number:
926223-39-4
Molecular Formula:
C13H16N4O2
Molecular Weight:
260.2917
MDL Number:
MFCD09049166
IUPAC Name:
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
InChI:
InChI=1S/C13H16N4O2/c1-7-5-8(2)15-13(14-7)17-10(4)11(6-12(18)19)9(3)16-17/h5H,6H2,1-4H3,(H,18,19)
InChI Key:
QOIUFWBNBTVFLB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nn(c1C)c1nc(C)cc(n1)C
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.127g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.297g/mol
Monoisotopic Mass:
260.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties