AC1O53X6 structure

AC1O53X6

butane-1,4-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;oxepan-2-one

Also Known As: Hexanedioic acid, polymer with 1,4-butanediol, 1,1'-methylenebis[4-isocyanatobenzene], 2-oxepanone and 2,2'-oxybis[ethanol]|(C15-H10-N2-O2.C6-H10-O4.C6-H10-O2.C4-H10-O3.C4-H10-O2)x-|2-Oxepanone, hexanedioic acid, 1,4-butanediol, 2,2'-oxybisethanol, 1,1'-methylenebis(4-isocyanatobenzene) polymer|butane-1,4-diol; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one|butane-1,4-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;oxepan-2-one|Hexanedioic acid, polymer with 1,4-butanediol, 1,1'-methylenebis(4-isocyanatobenzene), 2-oxepanone and 2,2'-oxybis(ethanol)

CAS: 41366-44-3
Molecular Formula C35H50N2O13
Molecular Weight 706.3313 g/mol
LogP 3.7704
Topological Polar Surface Area 249.91 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
Rotatable Bonds 16
Exact Mass 706.3313
Monoisotopic Mass 706.3313
Heavy Atoms 50
Complexity 1148.7517

Chemical Identifiers

CAS Number 41366-44-3
SMILES C1CCC(=O)OCC1.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO.C(COCCO)O

Product Overview

AC1O53X6 (CAS 41366-44-3), with molecular formula C35H50N2O13 and molecular weight 706.3313 g/mol. IUPAC: butane-1,4-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;oxepan-2-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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