| CAS Number | 111209-96-2 |
| Catalog Number | AG009TZC(AGN-PC-00CKL0) |
| Chemical Name | 1,3-dimethyl 2-(3-oxocyclopentyl)propanedioate |
| IUPAC Name | dimethyl 2-(3-oxocyclopentyl)propanedioate |
| InChI | InChI=1S/C10H14O5/c1-14-9(12)8(10(13)15-2)6-3-4-7(11)5-6/h6,8H,3-5H2,1-2H3 |
| InChI Key | GVJIHXMUUZHZDD-UHFFFAOYSA-N |
| MDL Number | MFCD00482100 |
| Molecular Formula | C10H14O5 |
| Molecular Weight | 214.2152 |
| SMILES | COC(=O)C(C1CCC(=O)C1)C(=O)OC |
| Synonyms | 111209-96-2,
3-(1,1-Bismethoxycarbonylmethyl)cyclopent-1-one,
Propanedioic acid, 2-(3-oxocyclopentyl)-, 1,3-dimethyl ester,
Dimethyl 2-(3-oxocyclopentyl)malonate,
SCHEMBL52741,
GVJIHXMUUZHZDD-UHFFFAOYSA-N,
SC-34576,
3-Oxocyclopentylmalonic acid dimethyl ester,
TL80074190,
PROPANEDIOIC ACID,2-(3-OXOCYCLOPENTYL)-,1,3-DIMETH,
CID11608197,
Dimethyl 2-(3-oxocyclopentyl)propanedioate,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.217g/mol |
| Monoisotopic Mass | 214.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number