AC1O53X9

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

Also Known As: Methylene diphenyl diisocyanate, butanediol, adipic acid, EPSILON.-caprolactone polymer|(C15-H10-N2-O2.C6-H10-O4.C6-H10-O2.C4-H10-O2)x-|Hexanedioic acid, polymer with 1,4-butanediol, 1,1'-methylenebis[4-isocyanatobenzene] and 2-oxepanone|Methylene diphenyl diisocyanate, butanediol, adipic acid, .EPSILON.-caprolactone polymer|butane-1,4-diol; hexanedioic acid; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; oxepan-2-one|Hexanedioic acid, polymer with 1,4-butanediol, 1,1'-methylenebis(4-isocyanatobenzene) and 2-oxepanone

Molecular Formula	C31H40N2O10
Molecular Weight	600.2683 g/mol
LogP	4.7828
Topological Polar Surface Area	200.22 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	600.2683
Monoisotopic Mass	600.2683
Heavy Atoms	43
Complexity	1064.5957

Chemical Identifiers

CAS Number	41366-45-4
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