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82181-91-7 | 1H-Isoindole-1,3(2H)-dione, 2-undecyl-
CAS No: 82181-91-7 Catalog No: AG0056N9 MDL No:
Product Description
Catalog Number:
AG0056N9
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-undecyl-
CAS Number:
82181-91-7
Molecular Formula:
C19H27NO2
Molecular Weight:
301.4232
IUPAC Name:
2-undecylisoindole-1,3-dione
InChI:
InChI=1S/C19H27NO2/c1-2-3-4-5-6-7-8-9-12-15-20-18(21)16-13-10-11-14-17(16)19(20)22/h10-11,13-14H,2-9,12,15H2,1H3
InChI Key:
WVQNOOZQAPZYMU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.204g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.43g/mol
Monoisotopic Mass:
301.204g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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