AC1Q5W2G

2-benzofuran-1,3-dione;butane-1,3-diol;hexanedioic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol

Also Known As: 1,3-Butanediol, phthalic anhydride, adipic acid, trimethylolethane polymer|adipic acid; butane-1,3-diol; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; isobenzofuran-1,3-dione|(C8-H4-O3.C6-H10-O4.C5-H12-O3.C4-H10-O2)x-|Hexanedioic acid, polymer with 1,3-butanediol, 2-(hydroxymethyl)-2-methyl-1,3-propanediol and 1,3-isobenzofurandione|Trimethylolethane, phthalic anhydride, 1,3-butanediol, hexanedioxic acid polymer|Trimethylolethane, phthalic anhydride, 1,3-butanediol, hexanedioxicacid polymer|2-benzofuran-1,3-dione; butane-1,3-diol; hexanedioic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol|Adipic acid, polyester with 1,3-butanediol, 2-(hydroxymethyl)-2-methyl-1,3-propanediol and phthalic anhydride

Molecular Formula	C23H36O12
Molecular Weight	504.22067 g/mol
LogP	0.4324
Topological Polar Surface Area	219.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	504.22067
Monoisotopic Mass	504.22067
Heavy Atoms	35
Complexity	380.0

Chemical Identifiers

CAS Number	29295-79-2
SMILES	CC(CCO)O.CC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O
InChIKey	NQLLQXHIROYKOH-UHFFFAOYSA-N