Basic information
- CAS
6666-46-2- Standard SMILES
O=C(O)CC1C=CC(=O)O1- InChIKey
HPEKPJGPWNSAAV-UHFFFAOYSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.02660867
Overview
5-oxo-2,5-dihydro-2-furylacetic acid is a 5-oxo-2-furylacetic acid having the C=C double bond at the 3,4-position. It is a conjugate acid of a 5-oxo-2,5-dihydro-2-furylacetate.
Names & identifiers
- Preferred name
- 2,5-Dihydro-5-oxo-2-furanacetic acid
- IUPAC
- 2-(5-oxo-2H-furan-2-yl)acetic acid
Names & synonyms
Muconolactone6666-46-22,5-dihydro-5-oxo-2-Furanacetic acidRefChem:9088162-(5-oxo-2H-furan-2-yl)acetic acid2,5-dihydro-5-oxofuran-2-acetate2-Oxo-2,5-dihydrofuran-5-acetate5-Oxo-2,5-dihydrofuran-2-acetate4-Carboxymethyl-4-hydroxyisocrotonolactone5-oxo-2,5-dihydro-2-furylacetic acid2-Furanacetic acid, 2,5-dihydro-5-oxo-SCHEMBL2935675
Show more names
CHEBI:180804-carboxymethylbut-2-en-4-olideAKOS006375432(5-oxo-2,5-dihydrofuran-2-yl)acetic acidC04105Q27102806
Database identifiers
- CAS
6666-46-2- PubChem CID
- 542
- ChEBI
CHEBI:18080- Nikkaji
- J1.552.257G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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