{4-[7-(Carboxymethoxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl]phenoxy}acetic acid
Basic information
- CAS
19360-68-0- Standard SMILES
O=C(O)COc1ccc(-c2coc3cc(OCC(=O)O)cc(O)c3c2=O)cc1- InChIKey
DJZVAFFUNOUNBE-UHFFFAOYSA-N- Molecular formula
- C19H14O9
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 386.06378202
Names & identifiers
- Preferred name
- {4-[7-(Carboxymethoxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl]phenoxy}acetic acid
- IUPAC
- 2-[4-[7-(carboxymethoxy)-5-hydroxy-4-oxochromen-3-yl]phenoxy]acetic acid
Names & synonyms
DTXSID201132494{4-[7-(Carboxymethoxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl]phenoxy}acetic acid2-[4-[7-(Carboxymethoxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl]phenoxy]acetic acid19360-68-0
Database identifiers
- CAS
19360-68-0- PubChem CID
- 91990809
- DTXSID
DTXSID201132494
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…