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Home > Pyridines > 889451-31-4
889451-31-4 | 1-(1H-Pyrazolo[3,4-b]pyridin-3-yl)ethanone
CAS No: 889451-31-4 Catalog No: AG0047YE MDL No:MFCD13178075
Product Description
Catalog Number:
AG0047YE
Chemical Name:
1-(1H-Pyrazolo[3,4-b]pyridin-3-yl)ethanone
CAS Number:
889451-31-4
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD13178075
IUPAC Name:
1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
InChI:
InChI=1S/C8H7N3O/c1-5(12)7-6-3-2-4-9-8(6)11-10-7/h2-4H,1H3,(H,9,10,11)
InChI Key:
RWGVRVNZMKAADM-UHFFFAOYSA-N
SMILES:
CC(=O)c1n[nH]c2c1cccn2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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