AC1L4X6L

1,3-diisocyanato-2-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol

Also Known As: Toluene diisocyanate, adipic acid, diethylene glycol, trimethylolpropane polymer|Adipic acid, diethylene glycol, trimethylolpropane, toluenediisocyanate polymer|Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 2,2'-oxybis[ethanol]|(C9-H6-N2-O2.C6-H14-O3.C6-H10-O4.C4-H10-O3)x-|1,3-Diisocyanatomethylbenzene, adipic acid, diethylene glycol, trimethylolpropane polymer|Adipic acid, diethylene glycol, trimethylolpropane, toluene diisocyanate polyester|adipic acid; 1,3-diisocyanato-2-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-(2-hydroxyethoxy)ethanol|Diethylene glycol, adipic acid, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, tolylene diisocyanate polymer|Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 2,2'-oxybis(ethanol)|1,3-diisocyanato-2-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol

Molecular Formula	C25H40N2O12
Molecular Weight	560.2581 g/mol
LogP	0.99292
Topological Polar Surface Area	244.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	14
Rotatable Bonds	15
Exact Mass	560.2581
Monoisotopic Mass	560.2581
Heavy Atoms	39
Complexity	439.0

Chemical Identifiers

CAS Number	97649-50-8
SMILES	CCC(CO)(CO)CO.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O
InChIKey	CMUDHBMYFFNHLY-UHFFFAOYSA-N