AC1O53XI
3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;furan-2,5-dione;[4-(hydroxymethyl)cyclohexyl]methanol
Also Known As: (C8-H16-O2.C8-H8-O3.C5-H12-O2.C4-H2-O3)x-|1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, polymer with 1,4-cyclohexanedimethanol, 2,2-dimethyl-1,3-propanediol and 2,5-furandione|3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; [4-(hydroxymethyl)cyclohexyl]methanol|Maleic anhydride, tetrahydrophthalic anhydride, 1,4-cyclohexanedimethanol, neopentyl glycol polymer
| Molecular Formula | C25H38O10 |
|---|---|
| Molecular Weight | 498.2465 g/mol |
| LogP | 1.0528 |
| Topological Polar Surface Area | 167.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.2465 |
| Monoisotopic Mass | 498.2465 |
| Heavy Atoms | 35 |
| Complexity | 704.2092 |
Chemical Identifiers
| CAS Number | 41377-04-2 |
|---|---|
| SMILES | CC(C)(CO)CO.C1CC(CCC1CO)CO.C1C=CCC2C1C(=O)OC2=O.C1=CC(=O)OC1=O |
Product Overview
AC1O53XI (CAS 41377-04-2), with molecular formula C25H38O10 and molecular weight 498.2465 g/mol. IUPAC: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;furan-2,5-dione;[4-(hydroxymethyl)cyclohexyl]methanol.