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Home > Indoles and Oxindole > 869093-92-5
869093-92-5 | 1H-Isoindole-1,3(2H)-dione, 2-(11-hydroxy-11-methyldodecyl)-
CAS No: 869093-92-5 Catalog No: AG004LAE MDL No:
Product Description
Catalog Number:
AG004LAE
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(11-hydroxy-11-methyldodecyl)-
CAS Number:
869093-92-5
Molecular Formula:
C21H31NO3
Molecular Weight:
345.4757
IUPAC Name:
2-(11-hydroxy-11-methyldodecyl)isoindole-1,3-dione
InChI:
InChI=1S/C21H31NO3/c1-21(2,25)15-11-7-5-3-4-6-8-12-16-22-19(23)17-13-9-10-14-18(17)20(22)24/h9-10,13-14,25H,3-8,11-12,15-16H2,1-2H3
InChI Key:
NYSBGWRGOFFZNS-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCCCCCCC(O)(C)C)C(=O)c2c1cccc2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.23g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.483g/mol
Monoisotopic Mass:
345.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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