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Home > Indoles and Oxindole > 94464-30-9
94464-30-9 | 2-(4-((1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)OXY)BUTOXY)-1H-ISOINDOLE-1,3(2H)-DIONE
CAS No: 94464-30-9 Catalog No: AG00H7HV MDL No:
Product Description
Catalog Number:
AG00H7HV
Chemical Name:
2-(4-((1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)OXY)BUTOXY)-1H-ISOINDOLE-1,3(2H)-DIONE
CAS Number:
94464-30-9
Molecular Formula:
C20H16N2O6
Molecular Weight:
380.3508
IUPAC Name:
2-[4-(1,3-dioxoisoindol-2-yl)oxybutoxy]isoindole-1,3-dione
InChI:
InChI=1S/C20H16N2O6/c23-17-13-7-1-2-8-14(13)18(24)21(17)27-11-5-6-12-28-22-19(25)15-9-3-4-10-16(15)20(22)26/h1-4,7-10H,5-6,11-12H2
InChI Key:
PHIWXXXLKDTQLX-UHFFFAOYSA-N
SMILES:
O=C1N(OCCCCON2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
UNII:
S4GV5CC6CI
NSC Number:
101754
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.101g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.356g/mol
Monoisotopic Mass:
380.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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