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Home > Indoles and Oxindole > 89423-12-1
89423-12-1 | 1H-Isoindole-1,3(2H)-dione, 2-heptadecyl-
CAS No: 89423-12-1 Catalog No: AG0043OZ MDL No:
Product Description
Catalog Number:
AG0043OZ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-heptadecyl-
CAS Number:
89423-12-1
Molecular Formula:
C25H39NO2
Molecular Weight:
385.5827
IUPAC Name:
2-heptadecylisoindole-1,3-dione
InChI:
InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26-24(27)22-19-16-17-20-23(22)25(26)28/h16-17,19-20H,2-15,18,21H2,1H3
InChI Key:
XMOGPBIAULKRPV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.298g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.592g/mol
Monoisotopic Mass:
385.298g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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