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108335-05-3 | Ethanone,2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)-
CAS No: 108335-05-3 Catalog No: AG007UU3 MDL No:
Product Description
Catalog Number:
AG007UU3
Chemical Name:
Ethanone,2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)-
CAS Number:
108335-05-3
Molecular Formula:
C19H14N2O
Molecular Weight:
286.3273
IUPAC Name:
2-phenyl-1-(9H-pyrido[3,4-b]indol-1-yl)ethanone
InChI:
InChI=1S/C19H14N2O/c22-17(12-13-6-2-1-3-7-13)19-18-15(10-11-20-19)14-8-4-5-9-16(14)21-18/h1-11,21H,12H2
InChI Key:
FNZBLVWPBUFWBG-UHFFFAOYSA-N
SMILES:
O=C(c1nccc2c1[nH]c1c2cccc1)Cc1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.334g/mol
Monoisotopic Mass:
286.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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