AC1L58C4

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

Also Known As: Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]|(C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O3.C2-H6-O2)x-|1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; ethane-1,2-diol; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol|Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene, 2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis(ethanol)|Hexanedioic acid, polymer with 1,3-diisocyanato-2-methylbenzene,2,4-diisocyanato-1-methylbenzene, 1,2-ethanediol and 2,2'-oxybis[ethanol]

Molecular Formula	C30H38N4O13
Molecular Weight	662.2435 g/mol
LogP	2.53384
Topological Polar Surface Area	282.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	17
Rotatable Bonds	14
Exact Mass	662.2435
Monoisotopic Mass	662.2435
Heavy Atoms	47
Complexity	649.0

Chemical Identifiers

CAS Number	67815-75-2
SMILES	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(CO)O.C(COCCO)O
InChIKey	QRBUDVXJCOSUPE-UHFFFAOYSA-N