Basic information
- CAS
62726-51-6- Standard SMILES
COc1ccc2c(c1OC)CC(=O)OC2- InChIKey
AUJNRQQRXKPPEU-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-1,4-dihydro-3H-2-benzopyran-3-one
- IUPAC
- 5,6-dimethoxy-1,4-dihydroisochromen-3-one
Names & synonyms
62726-51-6DTXSID904948585,6-Dimethoxy-1,4-dihydro-3H-2-benzopyran-3-oneRefChem:298667DTXCID904456685,6-dimethoxyisochroman-3-one5,6-dimethoxy-3,4-dihydro-1H-2-benzopyran-3-one
Database identifiers
- CAS
62726-51-6- PubChem CID
- 12371590
- DTXSID
DTXSID90494858
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…