Basic information
- CAS
13249-46-2- Standard SMILES
O=C(O)CC1(C(=O)O)C=CC(=O)O1- InChIKey
DHCUIDTZCMREHG-UHFFFAOYSA-N- Molecular formula
- C7H6O6
- Average molar mass
- 186.12 g/mol
- Monoisotopic mass
- 186.01643791
Overview
2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid is a 5-oxo-2-furylacetic acid having a carboxy group at the 2-position. It is a 5-oxo-2-furylacetic acid and a furoic acid. It is a conjugate acid of a 2-(carboxylatomethyl)-5-oxo-2,5-dihydro-2-furoate(2-).
Names & identifiers
- Preferred name
- 2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate
- IUPAC
- 2-(carboxymethyl)-5-oxofuran-2-carboxylic acid
Names & synonyms
2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid2-carboxy-2,5-dihydro-5-oxofuran-2-acetate5-Carboxy-2,5-dihydro-2-oxofuran-5-acetate2-carboxy-2,5-dihydro-5-oxo-2-furanacetic acidSCHEMBL2203488CHEBI:169932-(carboxymethyl)-5-oxo-2,5-dihydrofuran-2-carboxylic acid4-carboxymethyl-4-carboxybut-2-en-4-olideC01278Q27102167
Database identifiers
- CAS
13249-46-2- PubChem CID
- 543
- ChEBI
CHEBI:16993- Nikkaji
- J1.705.604B
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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