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Home > Indoles and Oxindole > 119449-75-1
119449-75-1 | 1H-Isoindole-1,3(2H)-dione, 2-(octadecyloxy)-
CAS No: 119449-75-1 Catalog No: AG000IT1 MDL No:
Product Description
Catalog Number:
AG000IT1
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(octadecyloxy)-
CAS Number:
119449-75-1
Molecular Formula:
C26H41NO3
Molecular Weight:
415.6086
IUPAC Name:
2-octadecoxyisoindole-1,3-dione
InChI:
InChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-27-25(28)23-20-17-18-21-24(23)26(27)29/h17-18,20-21H,2-16,19,22H2,1H3
InChI Key:
NPBWYGAOYGMFJC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCON1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.309g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.618g/mol
Monoisotopic Mass:
415.309g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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