| CAS Number | 84621-34-1 |
| Catalog Number | AG00G3D2(AGN-PC-0OJ8MP) |
| Chemical Name | (R)-3-Oxo-cyclopentaneacetic acid methyl ester |
| IUPAC Name | methyl 2-[(1R)-3-oxocyclopentyl]acetate |
| InChI | InChI=1S/C8H12O3/c1-11-8(10)5-6-2-3-7(9)4-6/h6H,2-5H2,1H3/t6-/m1/s1 |
| InChI Key | CPXMFVOUUXTIOH-ZCFIWIBFSA-N |
| MDL Number | MFCD28134041 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | COC(=O)C[C@@H]1CCC(=O)C1 |
| Synonyms | (R)-Methyl 2-(3-oxocyclopentyl)acetate,
84621-34-1,
ZINC38949034,
AKOS027339455,
AJ-97183,
CJ-19618,
(R)-3-Oxo-cyclopentaneacetic acid methyl ester,
[(R)-3-Oxocyclopentyl]acetic acid methyl ester,
Methyl 2-(3-oxocyclopentyl)acetate,
CID10487110,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.181g/mol |
| Monoisotopic Mass | 156.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number