Methyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate
Basic information
- CAS
23127-83-5- Standard SMILES
COC(=O)C1(CC(C)=O)OC(=O)C(O)=C1C(C)=O- InChIKey
TWGZLLBNCWEGDE-UHFFFAOYSA-N- Molecular formula
- C11H12O7
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.05830272
Names & identifiers
- Preferred name
- Methyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate
- IUPAC
- methyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)furan-2-carboxylate
- English name
- methyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate
- Molecular formula
- C11H12O7
- Molecular weight
- 256.20878
Names & synonyms
23127-83-5Methyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoateEINECS 245-439-0methyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydrofuran-2-carboxylateDTXSID80945804TWGZLLBNCWEGDE-UHFFFAOYSA-NAKOS005606543NS000515363-Acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furancarboxylic acid methyl ester
Database identifiers
- CAS
23127-83-5- PubChem CID
- 90882
- DTXSID
DTXSID80945804- EC Number
- 245-439-0
- Nikkaji
- J318.407B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 474
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…