| CAS Number | 1094403-53-8 |
| Catalog Number | AG019T8J(AGN-PC-0WOCDT) |
| Chemical Name | 3-Methyl-3-(2-methylpropyl)oxolane-2,5-dione |
| IUPAC Name | 3-methyl-3-(2-methylpropyl)oxolane-2,5-dione |
| InChI | InChI=1S/C9H14O3/c1-6(2)4-9(3)5-7(10)12-8(9)11/h6H,4-5H2,1-3H3 |
| InChI Key | STCQBUQMHAHLHG-UHFFFAOYSA-N |
| MDL Number | MFCD11134325 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | CC(CC1(C(=O)OC(=O)C1)C)C |
| Synonyms | 3-methyl-3-(2-methylpropyl)oxolane-2,5-dione,
1094403-53-8,
AKOS005261581,
NE20671,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number