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Home > Indoles and Oxindole > 7355-36-4
7355-36-4 | 2,6-dihexylpyrrolo[3,4-f]isoindole-1,3,5,7(2h,6h)-tetrone
CAS No: 7355-36-4 Catalog No: AG005YXZ MDL No:
Product Description
Catalog Number:
AG005YXZ
Chemical Name:
2,6-dihexylpyrrolo[3,4-f]isoindole-1,3,5,7(2h,6h)-tetrone
CAS Number:
7355-36-4
Molecular Formula:
C22H28N2O4
Molecular Weight:
384.4687
IUPAC Name:
2,6-dihexylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
InChI:
InChI=1S/C22H28N2O4/c1-3-5-7-9-11-23-19(25)15-13-17-18(14-16(15)20(23)26)22(28)24(21(17)27)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key:
RCJOYJUVWIRYSF-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(=O)c2c(c1=O)cc1c(c2)c(=O)n(c1=O)CCCCCC
NSC Number:
58278
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.205g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.476g/mol
Monoisotopic Mass:
384.205g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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