| CAS Number | 57026-65-0 |
| Catalog Number | AG01BGIG(AGN-PC-0WOTWD) |
| Chemical Name | 2-(2-Methyl-3-oxocyclopentyl)acetic acid |
| IUPAC Name | 2-(2-methyl-3-oxocyclopentyl)acetic acid |
| InChI | InChI=1S/C8H12O3/c1-5-6(4-8(10)11)2-3-7(5)9/h5-6H,2-4H2,1H3,(H,10,11) |
| InChI Key | VNXRDGISGJJAAW-UHFFFAOYSA-N |
| MDL Number | MFCD20651528 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | CC1C(=O)CCC1CC(O)=O |
| Synonyms | 2-(2-methyl-3-oxocyclopentyl)acetic acid,
57026-65-0,
AKOS022635484,
Z1946684596,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.181g/mol |
| Monoisotopic Mass | 156.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number