| CAS Number | 164916-54-5 |
| Catalog Number | AG001V53(AGN-PC-0Q8NWM) |
| Chemical Name | (cis)-1-Benzyl 2-methyl 4-oxocyclopentane-1,2-dicarboxylate |
| IUPAC Name | 2-O-benzyl 1-O-methyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate |
| InChI | InChI=1S/C15H16O5/c1-19-14(17)12-7-11(16)8-13(12)15(18)20-9-10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3/t12-,13+/m0/s1 |
| InChI Key | IPBOISVEVUERBN-QWHCGFSZSA-N |
| MDL Number | MFCD25542351 |
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.2845 |
| SMILES | O=C([C@H]1[C@@H](C(OC)=O)CC(C1)=O)OCC2=CC=CC=C2 |
| Synonyms | 164916-54-5,
(CIS)-1-BENZYL 2-METHYL 4-OXOCYCLOPENTANE-1,2-DICARBOXYLATE,
cis-1-Benzyl 2-methyl 4-oxocyclopentane-1,2-dicarboxylate,
SCHEMBL9113747,
DTXSID30733596,
MFCD25542351,
ZINC82023650,
AKOS025146533,
AK164657,
AS-41955,
SC-68236,
AB0047897,
(cis)-1-benzyl 2-methyl 4-oxocyclopentane-1,2-dica,
Benzyl methyl (1R,2S)-4-oxocyclopentane-1,2-dicarboxylate,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.288g/mol |
| Monoisotopic Mass | 276.1g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 69.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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