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Home > Indoles and Oxindole > 91825-06-8
91825-06-8 | 3,3-bis(1-butyl-2-methyl-1h-indol-3-yl)-2-benzofuran-1(3h)-one
CAS No: 91825-06-8 Catalog No: AG0068VC MDL No:
Product Description
Catalog Number:
AG0068VC
Chemical Name:
3,3-bis(1-butyl-2-methyl-1h-indol-3-yl)-2-benzofuran-1(3h)-one
CAS Number:
91825-06-8
Molecular Formula:
C34H36N2O2
Molecular Weight:
504.6618
IUPAC Name:
3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
InChI:
InChI=1S/C34H36N2O2/c1-5-7-21-35-23(3)31(26-16-10-13-19-29(26)35)34(28-18-12-9-15-25(28)33(37)38-34)32-24(4)36(22-8-6-2)30-20-14-11-17-27(30)32/h9-20H,5-8,21-22H2,1-4H3
InChI Key:
JZEPXWWZAJGALH-UHFFFAOYSA-N
SMILES:
CCCCn1c(C)c(c2c1cccc2)C1(OC(=O)c2c1cccc2)c1c(C)n(c2c1cccc2)CCCC
EC Number:
256-523-1
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.278g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.674g/mol
Monoisotopic Mass:
504.278g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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