Basic information
- CAS
27846-47-5- Standard SMILES
CC(C)=CC(=O)C1=C(O)C(=O)OC1- InChIKey
ZAVNEDLKOLFANR-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 3-Hydroxy-4-(3-methylbut-2-enoyl)furan-2(5H)-one
- IUPAC
- 4-hydroxy-3-(3-methylbut-2-enoyl)-2H-furan-5-one
Names & synonyms
27846-47-5NSC3190973-Hydroxy-4-(3-methylbut-2-enoyl)furan-2(5H)-oneDTXSID00317605NSC-319097
Database identifiers
- CAS
27846-47-5- PubChem CID
- 330474
- DTXSID
DTXSID00317605
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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