| CAS Number | 106083-73-2 |
| Catalog Number | AG01DX9M(AGN-PC-0JSQFC) |
| Chemical Name | propan-2-yl cyclopentanecarboxylate |
| IUPAC Name | propan-2-yl cyclopentanecarboxylate |
| InChI | InChI=1S/C9H16O2/c1-7(2)11-9(10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3 |
| InChI Key | KDEHXGMNPBCMKK-UHFFFAOYSA-N |
| MDL Number | MFCD21101244 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC(OC(C1CCCC1)=O)C |
| Synonyms | propan-2-yl cyclopentanecarboxylate,
106083-73-2,
AC1LB29C,
SCHEMBL3483078,
KDEHXGMNPBCMKK-UHFFFAOYSA-N,
Isopropyl cyclopentanecarboxylate #,
ZINC32216716,
AKOS008948071,
FT-0712425,
Isopropyl cyclopentanecarboxylate,
CID550066,
Cyclopentanecarboxylic acid, isopropyl ester,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number