AC1L420O

1,3-diisocyanato-2-methylbenzene;hexanedioic acid;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol

Also Known As: Diethylene glycol, 1,6-hexanediol, adipic acid, toluene diisocyanate polymer|(C9-H6-N2-O2.C6-H14-O2.C6-H10-O4.C4-H10-O3)x-|Adipic acid, diethylene glycol, 1,6-hexanediol, toluenediisocyanate polymer|Adipic acid, diethylene glycol, 1,6-hexanediol, toluenediisocyanatepolymer|Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 1,6-hexanediol and 2,2'-oxybis[ethanol]|1,3-diisocyanato-2-methylbenzene; hexanedioic acid; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol|Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 1,6-hexanediol and 2,2'-oxybis(ethanol)

Molecular Formula	C25H40N2O11
Molecular Weight	544.2632 g/mol
LogP	2.16462
Topological Polar Surface Area	224.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	13
Rotatable Bonds	16
Exact Mass	544.2632
Monoisotopic Mass	544.2632
Heavy Atoms	38
Complexity	410.0

Chemical Identifiers

CAS Number	68133-95-9
SMILES	CC1=C(C=CC=C1N=C=O)N=C=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(COCCO)O
InChIKey	JSXFCTXOWKLIAG-UHFFFAOYSA-N