AC1L51VF

2-benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;hexanedioic acid;propane-1,3-diol

Also Known As: Adipic acid, phthalic acid, neopentyl glycol, trimethylolpropane polymer|Neopentyl glycol, trimethylolpropane, phthalic anhydride, adipic acid polymer|Adipic acid, neopentyl glycol, phthalic anhydride, trimethylolpropane polymer|Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 1,3-isobenzofurandione|Phthalic anhydride, adipic acid, neopentyl glycol, trimethylolpropane polymer|Phthalic anhydride, adipic acid, neopentyl glycol, trimethylolpropane resin|(C8-H4-O3.C6-H14-O3.C6-H10-O4.C5-H12-O2)x-|adipic acid; 2,2-dimethylpropane-1,3-diol; isobenzofuran-1,3-dione; propane-1,3-diol|2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; hexanedioic acid; propane-1,3-diol

Molecular Formula	C22H34O11
Molecular Weight	474.2101 g/mol
LogP	1.0715
Topological Polar Surface Area	199.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	9
Exact Mass	474.2101
Monoisotopic Mass	474.2101
Heavy Atoms	33
Complexity	357.0

Chemical Identifiers

CAS Number	313348-27-5
SMILES	CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O.C(CO)CO
InChIKey	OWOWUDXDZXEATL-UHFFFAOYSA-N