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60792-57-6 | 3-METHYL-1-OXO-1,5-DIHYDRO-BENZO[4,5]IMIDAZO[1,2-A]PYRIDINE-4-CARBONITRILE
CAS No: 60792-57-6 Catalog No: AG00EIWL MDL No:MFCD00649384
Product Description
Catalog Number:
AG00EIWL
Chemical Name:
3-METHYL-1-OXO-1,5-DIHYDRO-BENZO[4,5]IMIDAZO[1,2-A]PYRIDINE-4-CARBONITRILE
CAS Number:
60792-57-6
Molecular Formula:
C13H9N3O
Molecular Weight:
223.2301
MDL Number:
MFCD00649384
IUPAC Name:
3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
InChI:
InChI=1S/C13H9N3O/c1-8-6-12(17)16-11-5-3-2-4-10(11)15-13(16)9(8)7-14/h2-6,15H,1H3
InChI Key:
ODPPIAGQLCIUJF-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(=O)n2c1[nH]c1c2cccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.235g/mol
Monoisotopic Mass:
223.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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