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6626-74-0 | 2,6-bis(2-ethylhexyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2h,6h)-tetrone
CAS No: 6626-74-0 Catalog No: AG006OK4 MDL No:
Product Description
Catalog Number:
AG006OK4
Chemical Name:
2,6-bis(2-ethylhexyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2h,6h)-tetrone
CAS Number:
6626-74-0
Molecular Formula:
C26H36N2O4
Molecular Weight:
440.5750
IUPAC Name:
2,6-bis(2-ethylhexyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
InChI:
InChI=1S/C26H36N2O4/c1-5-9-11-17(7-3)15-27-23(29)19-13-21-22(14-20(19)24(27)30)26(32)28(25(21)31)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3
InChI Key:
AIWVTMBIGBVWSS-UHFFFAOYSA-N
SMILES:
CCCCC(Cn1c(=O)c2c(c1=O)cc1c(c2)c(=O)n(c1=O)CC(CCCC)CC)CC
NSC Number:
58282
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.268g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.584g/mol
Monoisotopic Mass:
440.268g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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