3-Butenoic acid, 4-(2-furanyl)-2-oxo-
Basic information
- CAS
5809-67-6- Standard SMILES
O=C(O)C(=O)C=Cc1ccco1- InChIKey
WPMRQAQTTMFMEF-UHFFFAOYSA-N- Molecular formula
- C8H6O4
- Average molar mass
- 166.13 g/mol
- Monoisotopic mass
- 166.02660867
Names & identifiers
- Preferred name
- 3-Butenoic acid, 4-(2-furanyl)-2-oxo-
- IUPAC
- 4-(furan-2-yl)-2-oxobut-3-enoic acid
Names & synonyms
3-Butenoic acid, 4-(2-furanyl)-2-oxo-DTXSID103288685809-67-6RefChem:277904DTXCID20279973SCHEMBL36510983-(2-furyl)-acrylcarboxylic acid
Database identifiers
- CAS
5809-67-6- PubChem CID
- 414696
- DTXSID
DTXSID10328868
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…