Basic information
- CAS
124050-35-7- Standard SMILES
O=C(O)c1cccc(CC2COc3cc(O)ccc3C2=O)c1- InChIKey
MGXSGIYZZJNAFA-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Names & identifiers
- Preferred name
- 3-[(3,4-Dihydro-7-hydroxy-4-oxo-2H-1-benzopyran-3-yl)methyl]benzoic acid
- IUPAC
- 3-[(7-hydroxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]benzoic acid
Names & synonyms
SCHEMBL8466024DTXSID0011488593-[(3,4-Dihydro-7-hydroxy-4-oxo-2H-1-benzopyran-3-yl)methyl]benzoic acid124050-35-73-[(7-Hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]benzoic acid
Database identifiers
- CAS
124050-35-7- PubChem CID
- 19600650
- DTXSID
DTXSID001148859
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…