Basic information
- CAS
405923-51-5- Standard SMILES
Cc1cc(C)cc(Oc2coc3cc(OCC(=O)O)ccc3c2=O)c1- InChIKey
RIHUCQNJALFVGU-UHFFFAOYSA-N- Molecular formula
- C19H16O6
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.09468823
Names & identifiers
- Preferred name
- 2-[[3-(3,5-Dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy]acetic acid
- IUPAC
- 2-[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetic acid
Names & synonyms
405923-51-52-[[3-(3,5-Dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy]acetic acidOprea1_605169DTXSID201154866AKOS001695225CCG-115443AS-871/41744027SR-01000085429SR-01000085429-1{[3-(3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetic acid{[3-(3,5-Dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetic acid
Database identifiers
- CAS
405923-51-5- PubChem CID
- 693159
- DTXSID
DTXSID201154866
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…