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820964-19-0 | 1H-Imidazo[1,5-a]indole-1,3(2H)-dione, 2-(1-phenylethyl)-
CAS No: 820964-19-0 Catalog No: AG0052JS MDL No:
Product Description
Catalog Number:
AG0052JS
Chemical Name:
1H-Imidazo[1,5-a]indole-1,3(2H)-dione, 2-(1-phenylethyl)-
CAS Number:
820964-19-0
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
2-(1-phenylethyl)imidazo[1,5-a]indole-1,3-dione
InChI:
InChI=1S/C18H14N2O2/c1-12(13-7-3-2-4-8-13)19-17(21)16-11-14-9-5-6-10-15(14)20(16)18(19)22/h2-12H,1H3
InChI Key:
FTICDJGGTHNLRZ-UHFFFAOYSA-N
SMILES:
CC(n1c(=O)c2n(c1=O)c1c(c2)cccc1)c1ccccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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