| CAS Number | 64670-14-0 |
| Catalog Number | AG00ELBJ(AGN-PC-0TDHO0) |
| Chemical Name | Methyl 3-cyclopentyl-3-oxopropanoate |
| IUPAC Name | methyl 3-cyclopentyl-3-oxopropanoate |
| InChI | InChI=1S/C9H14O3/c1-12-9(11)6-8(10)7-4-2-3-5-7/h7H,2-6H2,1H3 |
| InChI Key | CTALSEJBMUILAM-UHFFFAOYSA-N |
| MDL Number | MFCD11974603 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | COC(CC(C1CCCC1)=O)=O |
| Synonyms | methyl 3-cyclopentyl-3-oxopropanoate,
64670-14-0,
Beta-oxo-cyclopentanepropanoic acid methyl ester,
SCHEMBL1013082,
CTALSEJBMUILAM-UHFFFAOYSA-N,
methyl 2-cyclopentanecarbonylacetate,
MFCD11974603,
ZINC83119926,
AKOS017515812,
NE48608,
SC-67427,
1-Methoxy-3-cyclopentyl-1,3-propanedione,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number