| CAS Number | 134302-12-8 |
| Catalog Number | AG01A5IR |
| Chemical Name | 5-Cyclopentanecarbonyl-2,2-dimethyl-1,3-dioxane-4,6-dione |
| IUPAC Name | 5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxane-4,6-dione |
| InChI | InChI=1S/C12H16O5/c1-12(2)16-10(14)8(11(15)17-12)9(13)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3 |
| InChI Key | MIDXSBJOWHMRQD-UHFFFAOYSA-N |
| MDL Number | MFCD22200097 |
| Molecular Formula | C12H16O5 |
| Molecular Weight | 240.2524 |
| SMILES | CC1(OC(=O)C(C(C2CCCC2)=O)C(=O)O1)C |
| Synonyms | 5-cyclopentanecarbonyl-2,2-dimethyl-1,3-dioxane-4,6-dione,
134302-12-8,
SCHEMBL1403152,
MIDXSBJOWHMRQD-UHFFFAOYSA-N,
5-(Cyclopentylcarbonyl)-2,2-dimethyl-1,3-dioxane-4,6-dione,
ZINC95347776,
NE59474,
5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxane-4,6-dione,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.255g/mol |
| Monoisotopic Mass | 240.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number