| CAS Number | 4934-95-6 |
| Catalog Number | AG00DA8D(AGN-PC-004KZ2) |
| Chemical Name | Methyl 2-(2-oxocyclopentyl)acetate |
| IUPAC Name | methyl 2-(2-oxocyclopentyl)acetate |
| InChI | InChI=1S/C8H12O3/c1-11-8(10)5-6-3-2-4-7(6)9/h6H,2-5H2,1H3 |
| InChI Key | FCUFQALZTPBXTC-UHFFFAOYSA-N |
| MDL Number | MFCD09030135 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | COC(CC1C(=O)CCC1)=O |
| Synonyms | Methyl 2-(2-oxocyclopentyl)acetate,
4934-95-6,
(2-OXO-CYCLOPENTYL)-ACETIC ACID METHYL ESTER,
2-methoxycarbonylmethylcyclopentanone,
methyl 2-oxocyclopentylacetate,
SCHEMBL2565281,
CTK1D0903,
methyl (2-oxocyclopentyl)acetate,
DTXSID80458984,
FCUFQALZTPBXTC-UHFFFAOYSA-N,
AKOS006290068,
MCULE-1943898216,
NE45575,
2-Oxocyclopentaneacetic acid methyl ester,
(2-oxocyclopentyl)acetic acid methyl ester,
Cyclopentaneacetic acid, 2-oxo-, methyl ester,
Z1741794192,
CID11217375,
20826-94-2,
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| Complexity | 174 |
| 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 | 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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