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27646-77-1 | 1H-Isoindole-1,3(2H)-dione, 2-dodecyl-
CAS No: 27646-77-1 Catalog No: AG002UBR MDL No:
Product Description
Catalog Number:
AG002UBR
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-dodecyl-
CAS Number:
27646-77-1
Molecular Formula:
C20H29NO2
Molecular Weight:
315.4498
IUPAC Name:
2-dodecylisoindole-1,3-dione
InChI:
InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-13-16-21-19(22)17-14-11-12-15-18(17)20(21)23/h11-12,14-15H,2-10,13,16H2,1H3
InChI Key:
LFUHZZBSKQGQKA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.22g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.457g/mol
Monoisotopic Mass:
315.22g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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