AC1Q5W27

1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol

Also Known As: 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol|adipic acid; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-(2-hydroxyethoxy)ethanol|Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 2,2'-oxybis[ethanol]|(C9-H6-N2-O2.C9-H6-N2-O2.C6-H14-O3.C6-H10-O4.C4-H10-O3)x-|1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol|Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 2,2'-oxybis(ethanol)|Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene,2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)1,3-propanediol and 2,2'-oxybis[ethanol]

Molecular Formula	C34H46N4O14
Molecular Weight	734.301 g/mol
LogP	2.92254
Topological Polar Surface Area	303.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	18
Rotatable Bonds	17
Exact Mass	734.301
Monoisotopic Mass	734.301
Heavy Atoms	52
Complexity	704.0

Chemical Identifiers

CAS Number	67892-88-0
SMILES	CCC(CO)(CO)CO.CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O
InChIKey	LBGAXMAWJPXYPD-UHFFFAOYSA-N