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Home > Indoles and Oxindole > 830924-41-9
830924-41-9 | 1H-Benz[f]indole-4,9-dione, 1,3-dimethyl-2-[(1E)-2-phenylethenyl]-
CAS No: 830924-41-9 Catalog No: AG004WTK MDL No:
Product Description
Catalog Number:
AG004WTK
Chemical Name:
1H-Benz[f]indole-4,9-dione, 1,3-dimethyl-2-[(1E)-2-phenylethenyl]-
CAS Number:
830924-41-9
Molecular Formula:
C22H17NO2
Molecular Weight:
327.3759
IUPAC Name:
1,3-dimethyl-2-(2-phenylethenyl)benzo[f]indole-4,9-dione
InChI:
InChI=1S/C22H17NO2/c1-14-18(13-12-15-8-4-3-5-9-15)23(2)20-19(14)21(24)16-10-6-7-11-17(16)22(20)25/h3-13H,1-2H3
InChI Key:
PHXRXALXELIMRN-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1n(C)c(c2C)/C=C/c1ccccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.383g/mol
Monoisotopic Mass:
327.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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