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Home > Imidazoles > 88172-39-8
88172-39-8 | Benzimidazo[1,2-a]quinolinium, 6-cyano-5-hydroxy-7-methyl-
CAS No: 88172-39-8 Catalog No: AG008BPX MDL No:
Product Description
Catalog Number:
AG008BPX
Chemical Name:
Benzimidazo[1,2-a]quinolinium, 6-cyano-5-hydroxy-7-methyl-
CAS Number:
88172-39-8
Molecular Formula:
C17H12N3O+
Molecular Weight:
274.2967
IUPAC Name:
5-hydroxy-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile
InChI:
InChI=1S/C17H11N3O/c1-19-14-8-4-5-9-15(14)20-13-7-3-2-6-11(13)16(21)12(10-18)17(19)20/h2-9H,1H3/p+1
InChI Key:
XRQNYPHNZPECFW-UHFFFAOYSA-O
SMILES:
N#Cc1c(O)c2ccccc2n2c1[n+](C)c1c2cccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.098g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.303g/mol
Monoisotopic Mass:
274.098g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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