| CAS Number | 92618-89-8 |
| Catalog Number | AG01FOL7(AGN-PC-0HA0FS) |
| Chemical Name | 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate |
| IUPAC Name | [(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate |
| InChI | InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10?,12+/m0/s1 |
| InChI Key | KGEKLUUHTZCSIP-VXFCFVAISA-N |
| MDL Number | MFCD00135943 |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.2860 |
| SMILES | CC(OC1CC2CCC1(C)C2(C)C)=O |
| Synonyms | 92618-89-8,
Dil-isobornyl acetate,
SCHEMBL17035684,
618D898,
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate,
Borneol, acetate,
CID11008865,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.29g/mol |
| Monoisotopic Mass | 196.146g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number