Home Other Building Blocks 3-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}propanoic acid

3-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}propanoic acid

CAS No.:
1000931-71-4
Catalog Number:
AG019M6B
Molecular Formula:
C9H10N4O3
Molecular Weight:
222.2007
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Product Description
Catalog Number:
AG019M6B
Chemical Name:
3-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}propanoic acid
CAS Number:
1000931-71-4
Molecular Formula:
C9H10N4O3
Molecular Weight:
222.2007
MDL Number:
MFCD09863310
IUPAC Name:
3-(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoic acid
InChI:
InChI=1S/C9H10N4O3/c1-13-8-5(4-10-13)9(16)12-6(11-8)2-3-7(14)15/h4H,2-3H2,1H3,(H,14,15)(H,11,12,16)
InChI Key:
UCAUVNVDANIZHI-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1[nH]c(=O)c2c(n1)n(C)nc2
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.204g/mol
Monoisotopic Mass:
222.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties