AC1O55SY

1,3-diisocyanato-2-methylbenzene;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z,12R)-12-hydroxyoctadec-9-enoate

Also Known As: (C23-H44-O6.C9-H6-N2-O2)x-|Pentaerythritol monoricinoleate, toluene diisocyanate polymer|9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (9Z,12R)-, polymer with 1,3-diisocyanatomethylbenzene|1,3-diisocyanato-2-methylbenzene; [3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z,12R)-12-hydroxyoctadec-9-enoate|9-Octadecenoic acid, 12-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, [R-(Z)]-, polymer with 1,3-diisocyanatomethylbenzene

Molecular Formula	C32H50N2O8
Molecular Weight	590.3567 g/mol
LogP	5.43082
Topological Polar Surface Area	166.08 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	22
Exact Mass	590.3567
Monoisotopic Mass	590.3567
Heavy Atoms	42
Complexity	936.21313

Chemical Identifiers

CAS Number	52390-75-7
SMILES	CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO)O.CC1=C(C=CC=C1N=C=O)N=C=O