| CAS Number | 13027-73-1 |
| Catalog Number | AG00HS10(AGN-PC-0PJ74U) |
| Chemical Name | Methyl 2-cyclohexyl-2-phenylacetate |
| IUPAC Name | methyl 2-cyclohexyl-2-phenylacetate |
| InChI | InChI=1S/C15H20O2/c1-17-15(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3 |
| InChI Key | CHGRSXGBVBMMAP-UHFFFAOYSA-N |
| MDL Number | MFCD30834466 |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.3181 |
| SMILES | COC(=O)C(c1ccccc1)C1CCCCC1 |
| Synonyms | methyl 2-cyclohexyl-2-phenylacetate,
13027-73-1,
SCHEMBL4950911,
CHGRSXGBVBMMAP-UHFFFAOYSA-N,
Phenylcyclohexylacetic acid methyl ester,
2-Cyclohexyl-2-phenyl-acetic Acid Methyl Ester,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.323g/mol |
| Monoisotopic Mass | 232.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
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