| CAS Number | 877825-68-8 |
| Catalog Number | AG00GUH7(AGN-PC-0WOSO4) |
| Chemical Name | 3-Isopropyl-3-methyldihydrofuran-2,5-dione |
| IUPAC Name | 3-methyl-3-propan-2-yloxolane-2,5-dione |
| InChI | InChI=1S/C8H12O3/c1-5(2)8(3)4-6(9)11-7(8)10/h5H,4H2,1-3H3 |
| InChI Key | CRWBPFAFNCRLIS-UHFFFAOYSA-N |
| MDL Number | MFCD07847845 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | CC(C)C1(C)CC(=O)OC1=O |
| Synonyms | 3-isopropyl-3-methyldihydrofuran-2,5-dione,
3-methyl-3-(propan-2-yl)oxolane-2,5-dione,
877825-68-8,
AC1Q1OAT,
CTK6A4316,
AKOS005261590,
MCULE-9771501942,
NE13741,
EN300-23915,
J-512725,
Z168883344,
3-methyl-3-propan-2-yloxolane-2,5-dione,
[4-(chloroacetyl)piperazin-1-yl](4-fluorophenyl)acetonitrile,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.181g/mol |
| Monoisotopic Mass | 156.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number