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Home > Indoles and Oxindole > 917918-53-7
917918-53-7 | 1H-Phenalene-1,3(2H)-dione, 2-(3,3-dimethyl-3H-indol-2-yl)-
CAS No: 917918-53-7 Catalog No: AG006MOC MDL No:
Product Description
Catalog Number:
AG006MOC
Chemical Name:
1H-Phenalene-1,3(2H)-dione, 2-(3,3-dimethyl-3H-indol-2-yl)-
CAS Number:
917918-53-7
Molecular Formula:
C23H17NO2
Molecular Weight:
339.3866
IUPAC Name:
2-(3,3-dimethylindol-2-yl)phenalene-1,3-dione
InChI:
InChI=1S/C23H17NO2/c1-23(2)16-11-3-4-12-17(16)24-22(23)19-20(25)14-9-5-7-13-8-6-10-15(18(13)14)21(19)26/h3-12,19H,1-2H3
InChI Key:
FDWBRKXJXDCKEO-UHFFFAOYSA-N
SMILES:
O=C1c2cccc3c2c(C(=O)C1C1=Nc2c(C1(C)C)cccc2)ccc3
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.394g/mol
Monoisotopic Mass:
339.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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