| CAS Number | 6004-53-1 |
| Catalog Number | AG003ADQ(AGN-PC-0NCUJN) |
| Chemical Name | 1-cyclohexyl-2-hydroxyethan-1-one |
| IUPAC Name | 1-cyclohexyl-2-hydroxyethanone |
| InChI | InChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h7,9H,1-6H2 |
| InChI Key | XGIFYZPGSSZKMZ-UHFFFAOYSA-N |
| MDL Number | MFCD09908244 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | C1(CCCCC1)C(CO)=O |
| Synonyms | 1-cyclohexyl-2-hydroxyethanone,
6004-53-1,
1-cyclohexyl-2-hydroxy-ethanone,
Hydroxyacetylcyclohexane,
(hydroxyacetyl)cyclohexane,
SCHEMBL3955263,
DTXSID80448289,
Ethanone, 1-cyclohexyl-2-hydroxy-,
AKOS006314287,
CID10920615,
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| Complexity | 114 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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