AC1L58I6

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

Also Known As: Adipic acid, neopentyl glycol, 1,6-hexanediol, diethylene glycol, toluenediisocyanate polymer|(C9-H6-N2-O2.C6-H14-O2.C6-H10-O4.C5-H12-O2.C4-H10-O3)x-|1,3-diisocyanato-2-methylbenzene; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; hexane-1,6-diol; 2-(2-hydroxyethoxy)ethanol|Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol and 2,2'-oxybis(ethanol)|Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene, 2,2-dimethyl-1,3-propanediol, 1,6-hexanediol and 2,2'-oxybis[ethanol]

Molecular Formula	C30H52N2O13
Molecular Weight	648.3469 g/mol
LogP	2.16182
Topological Polar Surface Area	264.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	15
Rotatable Bonds	18
Exact Mass	648.3469
Monoisotopic Mass	648.3469
Heavy Atoms	45
Complexity	454.0

Chemical Identifiers

CAS Number	67905-71-9
SMILES	CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(CO)CO.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(COCCO)O
InChIKey	BENDAXJBRHDZJD-UHFFFAOYSA-N