| CAS Number | 58073-90-8 |
| Catalog Number | AG019TL6(AGN-PC-0JSW8U) |
| Chemical Name | Ethyl 2-methyl-5-oxocyclopentane-1-carboxylate |
| IUPAC Name | ethyl 2-methyl-5-oxocyclopentane-1-carboxylate |
| InChI | InChI=1S/C9H14O3/c1-3-12-9(11)8-6(2)4-5-7(8)10/h6,8H,3-5H2,1-2H3 |
| InChI Key | LPGXYGZNLBXGSA-UHFFFAOYSA-N |
| MDL Number | MFCD21602674 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | CCOC(C1C(=O)CCC1C)=O |
| Synonyms | ethyl 2-methyl-5-oxocyclopentane-1-carboxylate,
58073-90-8,
Ethyl 2-methyl-5-oxocyclopentanecarboxylate,
LPGXYGZNLBXGSA-UHFFFAOYSA-N,
AC1LBLPB,
SCHEMBL1262342,
CTK6F5205,
AKOS024015546,
MCULE-5164721697,
NE36078,
3-Methyl-2-methoxycarbonylcyclopentanone,
Ethyl 2-methyl-5-oxocyclopentanecarboxylate #,
2-methyl-5-oxo cyclopentanecarboxylic acid ethyl ester,
Z1335657415,
CID560131,
|
| Complexity | 198 |
| 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 | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number