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

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

CAS No.:
1251922-88-9
Catalog Number:
AG01AA10
Molecular Formula:
C10H12ClN3O4
Molecular Weight:
273.6730
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AA10
Chemical Name:
3-{4-methyl-3,6-dioxo-1H,2H,3H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid hydrochloride
CAS Number:
1251922-88-9
Molecular Formula:
C10H12ClN3O4
Molecular Weight:
273.6730
MDL Number:
MFCD16817522
IUPAC Name:
3-(4-methyl-3,6-dioxo-2,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C10H11N3O4.ClH/c1-4-5(2-3-6(14)15)9(16)11-8-7(4)10(17)13-12-8;/h2-3H2,1H3,(H,14,15)(H3,11,12,13,16,17);1H
InChI Key:
TWDBAJYQZUYMRP-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(=O)[nH]c2c(c1C)c(=O)[nH][nH]2.Cl
Properties
Complexity:
490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.052g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
273.673g/mol
Monoisotopic Mass:
273.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties