AC1L56X2

benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;terephthalic acid

Also Known As: Terephthalic acid, isophthalic acid, adipic acid, trimethylolpropane, neopentyl glycol polymer|(C8-H6-O4.C8-H6-O4.C6-H14-O3.C6-H10-O4.C5-H12-O2)x-|1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid|Adipic acid, neopentyl glycol, terephthalic acid, isophthalic acid,trimethylolpropane polymer|Adipic acid, neopentyl glycol, terephthalic acid, isophthalic acid, trimethylolpropane polymer|benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; terephthalic acid|Neopentyl glycol, trimethylolpropane, isophthalic acid, terephthalic acid, adipic acid polymer|Trimethylolpropane, neopentyl glycol, adipic acid, isophthalic acid, terephthalic acid polymer

Molecular Formula	C33H48O17
Molecular Weight	716.2891 g/mol
LogP	2.2389
Topological Polar Surface Area	325.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	17
Rotatable Bonds	15
Exact Mass	716.2891
Monoisotopic Mass	716.2891
Heavy Atoms	50
Complexity	567.0

Chemical Identifiers

CAS Number	52247-59-3
SMILES	CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O
InChIKey	KPLGSVVORQMDEJ-UHFFFAOYSA-N