(3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione
Basic information
- CAS
7470-42-0- Standard SMILES
CC(=O)c1c(C)cc(=O)oc1O- InChIKey
HURSXDKEYMJYED-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Names & identifiers
- Preferred name
- (3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dione
- IUPAC
- 5-acetyl-6-hydroxy-4-methylpyran-2-one
Names & synonyms
7470-42-0NSC402791368876-44-2DTXSID20715624(3Z)-3-(1-Hydroxyethylidene)-4-methyl-2H-pyran-2,6(3H)-dioneNSC-402791
Database identifiers
- CAS
7470-42-0- PubChem CID
- 345283
- DTXSID
DTXSID20715624
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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