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16101-08-9 | 6H-Pyrido[4,3-b]carbazole, 9-methoxy-1,5-dimethyl-
CAS No: 16101-08-9 Catalog No: AG001VLI MDL No:
Product Description
Catalog Number:
AG001VLI
Chemical Name:
6H-Pyrido[4,3-b]carbazole, 9-methoxy-1,5-dimethyl-
CAS Number:
16101-08-9
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
9-methoxy-1,5-dimethyl-2H-pyrido[4,3-b]carbazole
InChI:
InChI=1S/C18H16N2O/c1-10-13-6-7-19-11(2)14(13)9-16-15-8-12(21-3)4-5-17(15)20-18(10)16/h4-9,19H,1-3H3
InChI Key:
RVJXLUHXHYTGNH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1cc3c(C)nccc3c(c1[nH]2)C
EC Number:
240-265-1
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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