AC1L5BVC
2-benzofuran-1,3-dione;benzoic acid;2-ethylhexanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;furan-2,5-dione
Also Known As: Phthalic anhydride, maleic anhydride, trimethylolpropane polymer, 2-ethylhexanoate, benzoate|1,3-Isobenzofurandione, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 2,5-furandione, benzoate 2-ethylhexanoate|C8-H16-O2.x-(C8H4-O3.C6-H14-O3.C4-H2-O3)x-.x-C7-H6-O2|2-benzofuran-1,3-dione; benzoic acid; 2-ethylhexanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione
CAS: 72244-96-3
| Molecular Formula | C33H42O13 |
|---|---|
| Molecular Weight | 646.2625 g/mol |
| LogP | 3.6551 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 646.2625 |
| Monoisotopic Mass | 646.2625 |
| Heavy Atoms | 46 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 72244-96-3 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O.CCC(CO)(CO)CO.C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O |
| InChIKey | FEEGJPPUKRFCGD-UHFFFAOYSA-N |
Product Overview
AC1L5BVC (CAS 72244-96-3), with molecular formula C33H42O13 and molecular weight 646.2625 g/mol. IUPAC: 2-benzofuran-1,3-dione;benzoic acid;2-ethylhexanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;furan-2,5-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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