Basic information
- CAS
67883-81-2- Standard SMILES
O=C(C=Cc1ccccc1)C1=C(O)C(=O)OC1- InChIKey
VBUJPOUUFUPHLI-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Names & identifiers
- Preferred name
- 3-Hydroxy-4-(3-phenylprop-2-enoyl)furan-2(5H)-one
- IUPAC
- 4-hydroxy-3-(3-phenylprop-2-enoyl)-2H-furan-5-one
Names & synonyms
DTXSID0011964723-Hydroxy-4-(3-phenylprop-2-enoyl)furan-2(5H)-one3-Hydroxy-4-(1-oxo-3-phenyl-2-propen-1-yl)-2(5H)-furanone
Database identifiers
- CAS
67883-81-2- PubChem CID
- 97753
- DTXSID
DTXSID001196472
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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