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Home > Indoles and Oxindole > 192326-83-3
192326-83-3 | 1H-Isoindole-1,3(2H)-dione, 2-(6-chrysenylmethyl)-
CAS No: 192326-83-3 Catalog No: AG002FUT MDL No:
Product Description
Catalog Number:
AG002FUT
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(6-chrysenylmethyl)-
CAS Number:
192326-83-3
Molecular Formula:
C27H17NO2
Molecular Weight:
387.4294
IUPAC Name:
2-(chrysen-6-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C27H17NO2/c29-26-23-11-5-6-12-24(23)27(30)28(26)16-18-15-25-19-8-2-1-7-17(19)13-14-22(25)21-10-4-3-9-20(18)21/h1-15H,16H2
InChI Key:
AGEQGWOKYRTVKB-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2cc3c(c4c2cccc4)ccc2c3cccc2)C(=O)c2c1cccc2
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.126g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.438g/mol
Monoisotopic Mass:
387.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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