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Home > Indoles and Oxindole > 89587-06-4
89587-06-4 | 1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-9-methyl-2-phenyl-
CAS No: 89587-06-4 Catalog No: AG003XOC MDL No:
Product Description
Catalog Number:
AG003XOC
Chemical Name:
1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-9-methyl-2-phenyl-
CAS Number:
89587-06-4
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
9-methyl-2-phenyl-3,4-dihydropyrido[3,4-b]indol-1-one
InChI:
InChI=1S/C18H16N2O/c1-19-16-10-6-5-9-14(16)15-11-12-20(18(21)17(15)19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChI Key:
WSJWGTIADHXHPA-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2c1n(C)c1c2cccc1)c1ccccc1
Properties
Complexity:
404
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:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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