Home Carboxys 4-hydroxy-1-methyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

4-hydroxy-1-methyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS No.:
1305712-33-7
Catalog Number:
AG01EKAA
Molecular Formula:
C8H7N3O4
Molecular Weight:
209.1589
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Product Description
Catalog Number:
AG01EKAA
Chemical Name:
4-hydroxy-1-methyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CAS Number:
1305712-33-7
Molecular Formula:
C8H7N3O4
Molecular Weight:
209.1589
MDL Number:
MFCD18089378
IUPAC Name:
1-methyl-3,4-dioxo-2,7-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H7N3O4/c1-11-6-4(7(13)10-11)5(12)3(2-9-6)8(14)15/h2H,1H3,(H,9,12)(H,10,13)(H,14,15)
InChI Key:
ROPJQCQIBFMBSO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1O)c(=O)[nH]n2C
Properties
Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.044g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
209.161g/mol
Monoisotopic Mass:
209.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties