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)
| 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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