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Home > Imidazoles > 1369105-56-5
1369105-56-5 | 3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-one
CAS No: 1369105-56-5 Catalog No: AG01B7AA MDL No:MFCD22071225
Product Description
Catalog Number:
AG01B7AA
Chemical Name:
3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-one
CAS Number:
1369105-56-5
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
MDL Number:
MFCD22071225
IUPAC Name:
1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one
InChI:
InChI=1S/C6H7N3O/c10-6-5-4(1-2-7-6)8-3-9-5/h3H,1-2H2,(H,7,10)(H,8,9)
InChI Key:
WXQGEEXSJLMRKY-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1[nH]cn2
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
137.142g/mol
Monoisotopic Mass:
137.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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