| CAS Number | 38461-13-1 |
| Catalog Number | AG01BUOV(AGN-PC-0NEJAN) |
| Chemical Name | 2,2-Dimethoxycyclohexan-1-one |
| IUPAC Name | 2,2-dimethoxycyclohexan-1-one |
| InChI | InChI=1S/C8H14O3/c1-10-8(11-2)6-4-3-5-7(8)9/h3-6H2,1-2H3 |
| InChI Key | XTIUZBZHFHGRIV-UHFFFAOYSA-N |
| MDL Number | MFCD24688006 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | COC1(C(CCCC1)=O)OC |
| Synonyms | 2,2-dimethoxycyclohexan-1-one,
Cyclohexanone, 2,2-dimethoxy-,
38461-13-1,
2,2-dimethoxycyclohexanone,
SCHEMBL3676099,
CTK1B4851,
DTXSID80452043,
ZINC137272895,
CID11019138,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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