| CAS Number | 80246-70-4 |
| Catalog Number | AG003QEO(AGN-PC-0011N9) |
| Chemical Name | Ethyl 2-cycloheptylacetate |
| IUPAC Name | ethyl 2-cycloheptylacetate |
| InChI | InChI=1S/C11H20O2/c1-2-13-11(12)9-10-7-5-3-4-6-8-10/h10H,2-9H2,1H3 |
| InChI Key | WBZGWMNNCXEKSC-UHFFFAOYSA-N |
| MDL Number | MFCD08437072 |
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.2753 |
| SMILES | CCOC(CC1CCCCCC1)=O |
| Synonyms | Ethyl cycloheptylacetate,
80246-70-4,
Ethyl 2-cycloheptylacetate,
CYCLOHEPTYLACETIC ACID ETHYL ESTER,
Cycloheptaneacetic acid, ethyl ester,
MFCD08437072,
Ethyl cycloheptaneacetate,
SCHEMBL2779505,
CTK5E7609,
DTXSID50558889,
cycloheptyl-acetic acid ethyl ester,
2512AC,
ZINC12359098,
AKOS015840844,
MCULE-3082077758,
AJ-61369,
TR-025423,
UX00006230,
Ethyl2-cycloheptylacetate,
C11H20O2,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.279g/mol |
| Monoisotopic Mass | 184.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number