AC1O5C5K

2-benzofuran-1,3-dione;2,2-bis(hydroxymethyl)propane-1,3-diol;(E)-but-2-enedioic acid;octanoic acid

Also Known As: Pentaerythritol, fumaric acid, phthalic anhydride polymer, caprylate|C8-H16-O2.x-(C8H4-O3.C5-H12-O4.C4-H4-O4)x-|2-Butenedioic acid (2E)-, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol and 1,3-isobenzofurandione, octanoate|2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-but-2-enedioic acid; octanoic acid|2-Butenedioic acid (E)-, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol and 1,3-isobenzofurandione, octanoate

Molecular Formula	C25H36O13
Molecular Weight	544.2156 g/mol
LogP	1.0825
Topological Polar Surface Area	236.19 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	544.2156
Monoisotopic Mass	544.2156
Heavy Atoms	38
Complexity	837.7637

Chemical Identifiers

CAS Number	68186-49-2
SMILES	CCCCCCCC(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(C(CO)(CO)CO)O.C(=C/C(=O)O)\C(=O)O