2H-1-Benzopyran-6-acetic acid, alpha,7-dihydroxy-8-methoxy-2-oxo-
Basic information
- CAS
71942-07-9- Standard SMILES
COc1c(O)c(C(O)C(=O)O)cc2ccc(=O)oc12- InChIKey
COAMBSCLIAMUPB-UHFFFAOYSA-N- Molecular formula
- C12H10O7
- Average molar mass
- 266.2 g/mol
- Monoisotopic mass
- 266.04265265
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-6-acetic acid, alpha,7-dihydroxy-8-methoxy-2-oxo-
- IUPAC
- 2-hydroxy-2-(7-hydroxy-8-methoxy-2-oxochromen-6-yl)acetic acid
Names & synonyms
71942-07-92H-1-Benzopyran-6-acetic acid, alpha,7-dihydroxy-8-methoxy-2-oxo-DTXSID30992646Hydroxy(7-hydroxy-8-methoxy-2-oxo-2H-1-benzopyran-6-yl)acetic acid
Database identifiers
- CAS
71942-07-9- PubChem CID
- 5488574
- DTXSID
DTXSID30992646
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…