| CAS Number | 17159-84-1 |
| Catalog Number | AG00B5VP(AGN-PC-0BY6Q8) |
| Chemical Name | 4-(Methoxymethyl)cyclohexanone |
| IUPAC Name | 4-(methoxymethyl)cyclohexan-1-one |
| InChI | InChI=1S/C8H14O2/c1-10-6-7-2-4-8(9)5-3-7/h7H,2-6H2,1H3 |
| InChI Key | KPQOQSYRJHFQHS-UHFFFAOYSA-N |
| MDL Number | MFCD22381624 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | COCC1CCC(CC1)=O |
| Synonyms | 4-(methoxymethyl)cyclohexanone,
17159-84-1,
4-(methoxymethyl)cyclohexan-1-one,
4-methoxymethyl-cyclohexanone,
SCHEMBL337579,
KPQOQSYRJHFQHS-UHFFFAOYSA-N,
4-[(Methyloxy)methyl]cyclohexanone,
Cyclohexanone, 4-(methoxymethyl)-,
ZINC113611690,
FT-0738752,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number