Home Other Building Blocks 2-{1,4-dimethyl-3,6-dioxo-1H,2H,3H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}acetic acid

2-{1,4-dimethyl-3,6-dioxo-1H,2H,3H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}acetic acid

CAS No.:
1087784-33-5
Catalog Number:
AG019MS8
Molecular Formula:
C10H11N3O4
Molecular Weight:
237.2120
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Product Description
Catalog Number:
AG019MS8
Chemical Name:
2-{1,4-dimethyl-3,6-dioxo-1H,2H,3H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}acetic acid
CAS Number:
1087784-33-5
Molecular Formula:
C10H11N3O4
Molecular Weight:
237.2120
MDL Number:
MFCD11099496
IUPAC Name:
2-(1,4-dimethyl-3,6-dioxo-2,7-dihydropyrazolo[3,4-b]pyridin-5-yl)acetic acid
InChI:
InChI=1S/C10H11N3O4/c1-4-5(3-6(14)15)9(16)11-8-7(4)10(17)12-13(8)2/h3H2,1-2H3,(H,11,16)(H,12,17)(H,14,15)
InChI Key:
PVQWSVYOYNRFSJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(=O)[nH]c2c(c1C)c(=O)[nH]n2C
Properties
Complexity:
504  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
237.215g/mol
Monoisotopic Mass:
237.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties