3-(Furan-2-yl)-5-oxocyclohexane-1,2-dicarboxylic acid
Basic information
- CAS
130598-06-0- Standard SMILES
O=C1CC(C(=O)O)C(C(=O)O)C(c2ccco2)C1- InChIKey
RLBGCGZFKPFZGO-UHFFFAOYSA-N- Molecular formula
- C12H12O6
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.0633881
Names & identifiers
- Preferred name
- 3-(Furan-2-yl)-5-oxocyclohexane-1,2-dicarboxylic acid
- IUPAC
- 3-(furan-2-yl)-5-oxocyclohexane-1,2-dicarboxylic acid
Names & synonyms
130598-06-03-(furan-2-yl)-5-oxocyclohexane-1,2-dicarboxylic acidDTXSID00926817RefChem:1067147DTXCID5013556233-(2-Furanyl)-5-oxo-1,2-cyclohexanedicarboxylic acid1,2-Cyclohexanedicarboxylic acid, 3-(2-furanyl)-5-oxo-
Database identifiers
- CAS
130598-06-0- PubChem CID
- 3076261
- DTXSID
DTXSID00926817
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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