5-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2h-chromen-7-yl acetate
Basic information
- CAS
58230-10-7- Standard SMILES
CC(=O)Oc1cc(O)c2c(c1)OC(C)(C)CC2=O- InChIKey
HCPFPMIBGRLSTA-UHFFFAOYSA-N- Molecular formula
- C13H14O5
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.08412354
Names & identifiers
- Preferred name
- 5-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2h-chromen-7-yl acetate
- IUPAC
- (5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl) acetate
Names & synonyms
58230-10-75-Hydroxy-2,2-dimethyl-4-oxochroman-7-yl acetate5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl acetate5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2h-chromen-7-yl acetateNSC155352DTXSID40302934NSC-155352
Database identifiers
- CAS
58230-10-7- PubChem CID
- 290898
- DTXSID
DTXSID40302934
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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