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Home > Indoles and Oxindole > 982-50-3
982-50-3 | 2-[5-(1,3-dioxoisoindol-2-yl)pentyl]isoindole-1,3-dione
CAS No: 982-50-3 Catalog No: AG006918 MDL No:
Product Description
Catalog Number:
AG006918
Chemical Name:
2-[5-(1,3-dioxoisoindol-2-yl)pentyl]isoindole-1,3-dione
CAS Number:
982-50-3
Molecular Formula:
C21H18N2O4
Molecular Weight:
362.3786
IUPAC Name:
2-[5-(1,3-dioxoisoindol-2-yl)pentyl]isoindole-1,3-dione
InChI:
InChI=1S/C21H18N2O4/c24-18-14-8-2-3-9-15(14)19(25)22(18)12-6-1-7-13-23-20(26)16-10-4-5-11-17(16)21(23)27/h2-5,8-11H,1,6-7,12-13H2
InChI Key:
RZVKKPVYVXRPFZ-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
NSC Number:
78820
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.385g/mol
Monoisotopic Mass:
362.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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