Basic information
- CAS
6558-96-9- Standard SMILES
COC(=O)c1cc(=O)cc(C(=O)OC)o1- InChIKey
BHSUHVSNJNGPPV-UHFFFAOYSA-N- Molecular formula
- C9H8O6
- Average molar mass
- 212.16 g/mol
- Monoisotopic mass
- 212.03208797
Names & identifiers
- Preferred name
- dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
- IUPAC
- dimethyl 4-oxopyran-2,6-dicarboxylate
- English name
- 4H-Pyran-2,6-dicarboxylic acid, 4-oxo-, dimethyl ester
- Molecular formula
- C9H8O6
- Molecular weight
- 212.16
Names & synonyms
dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate6558-96-9DTXSID20356733RefChem:338618DTXCID903077924H-Pyran-2,6-dicarboxylic acid, 4-oxo-, dimethyl esterdimethyl 4-oxopyran-2,6-dicarboxylateHMS2382B12SMR000114083MLS000547093CHEMBL1727526SCHEMBL13925286
Show more names
4H-Pyran-2,6-dicarboxylic acid, 4-oxo-, 2,6-dimethyl ester
AKOS024325166ST50447240AB00469377-08AG-205/01845031methyl 6-(methoxycarbonyl)-4-oxopyran-2-carboxylate
Database identifiers
- CAS
6558-96-9- PubChem CID
- 830685
- DTXSID
DTXSID20356733- ChEMBL
CHEMBL1727526- Nikkaji
- J1.408.413D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 342
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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