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

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

CAS No.:
1050885-22-7
Catalog Number:
AG019MD1
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
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Product Description
Catalog Number:
AG019MD1
Chemical Name:
3-{1,4-dimethyl-3,6-dioxo-1H,2H,3H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid
CAS Number:
1050885-22-7
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
MDL Number:
MFCD10686768
IUPAC Name:
3-(1,4-dimethyl-3,6-dioxo-2,7-dihydropyrazolo[3,4-b]pyridin-5-yl)propanoic acid
InChI:
InChI=1S/C11H13N3O4/c1-5-6(3-4-7(15)16)10(17)12-9-8(5)11(18)13-14(9)2/h3-4H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChI Key:
CABWYWLWWFMOCH-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(=O)[nH]c2c(c1C)c(=O)[nH]n2C
Properties
Complexity:
518  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties