2-(Benzo[1,3]dioxol-5-yl)-3-hydroxy-5-methoxy-chromen-4-one
Basic information
- CAS
260063-24-9- Standard SMILES
COc1cccc2oc(-c3ccc4c(c3)OCO4)c(O)c(=O)c12- InChIKey
OWGWCULDKMCWQQ-UHFFFAOYSA-N- Molecular formula
- C17H12O6
- Average molar mass
- 312.27 g/mol
- Monoisotopic mass
- 312.0633881
Names & identifiers
- Preferred name
- 2-(Benzo[1,3]dioxol-5-yl)-3-hydroxy-5-methoxy-chromen-4-one
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-3-hydroxy-5-methoxychromen-4-one
Names & synonyms
SCHEMBL7657009OWGWCULDKMCWQQ-UHFFFAOYSA-NDTXSID4011650592-(Benzo[1,3]dioxol-5-yl)-3-hydroxy-5-methoxy-chromen-4-one2-(1,3-Benzodioxol-5-yl)-3-hydroxy-5-methoxy-4H-1-benzopyran-4-one2-(2H-1,3-Benzodioxol-5-yl)-3-hydroxy-5-methoxy-4H-1-benzopyran-4-one260063-24-9
Database identifiers
- CAS
260063-24-9- PubChem CID
- 9839744
- DTXSID
DTXSID401165059
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…