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94200-73-4 | 9-Hydroxy-1,2,5-trimethyl-6H-pyrido(4,3-b)carbazolium iodide
CAS No: 94200-73-4 Catalog No: AG00669A MDL No:
Product Description
Catalog Number:
AG00669A
Chemical Name:
9-Hydroxy-1,2,5-trimethyl-6H-pyrido(4,3-b)carbazolium iodide
CAS Number:
94200-73-4
Molecular Formula:
C18H17IN2O
Molecular Weight:
404.2448
IUPAC Name:
1,2,5-trimethyl-5a,6-dihydropyrido[4,3-b]carbazol-6-ium-9-ol;iodide
InChI:
InChI=1S/C18H18N2O.HI/c1-10-13-6-7-20(3)11(2)14(13)9-16-15-8-12(21)4-5-17(15)19-18(10)16;/h4-9,18-19,21H,1-3H3;1H
InChI Key:
LUGQFHOMXFLHLO-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c1cc3c(c(c1[nH]2)C)cc[n+](c3C)C.[I-]
EC Number:
303-552-3
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.054g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.267g/mol
Monoisotopic Mass:
406.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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