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Home > Pyridines > 1016230-29-7
1016230-29-7 | 3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-1-propyl-
CAS No: 1016230-29-7 Catalog No: AG000504 MDL No:MFCD21603834
Product Description
Catalog Number:
AG000504
Chemical Name:
3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-1-propyl-
CAS Number:
1016230-29-7
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD21603834
IUPAC Name:
1-propyl-2H-pyrazolo[3,4-b]pyridin-3-one
InChI:
InChI=1S/C9H11N3O/c1-2-6-12-8-7(9(13)11-12)4-3-5-10-8/h3-5H,2,6H2,1H3,(H,11,13)
InChI Key:
UDTBMEXYHLZZGQ-UHFFFAOYSA-N
SMILES:
CCCn1[nH]c(=O)c2c1nccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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