| CAS Number | 1094328-65-0 |
| Catalog Number | AG01BCXB |
| Chemical Name | 3-ethyl-3-(4-methylphenyl)oxolane-2,5-dione |
| IUPAC Name | 3-ethyl-3-(4-methylphenyl)oxolane-2,5-dione |
| InChI | InChI=1S/C13H14O3/c1-3-13(8-11(14)16-12(13)15)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChI Key | SOQAYLWCCUWIFB-UHFFFAOYSA-N |
| MDL Number | MFCD11134333 |
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.2485 |
| SMILES | CCC1(C2=CC=C(C)C=C2)C(=O)OC(=O)C1 |
| Synonyms | 3-ethyl-3-(4-methylphenyl)oxolane-2,5-dione,
1094328-65-0,
AKOS009293484,
MCULE-6712029556,
Z1824497845,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.252g/mol |
| Monoisotopic Mass | 218.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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