Basic information
- CAS
89316-44-9- Standard SMILES
COC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1- InChIKey
MCRSJQPPZBIZIH-UHFFFAOYSA-N- Molecular formula
- C18H14O5
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.08412354
Names & identifiers
- Preferred name
- Acetic acid, [(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]-, methyl ester
- IUPAC
- methyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
- English name
- methyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
- Molecular formula
- C18H14O5
- Molecular weight
- 310.3
Names & synonyms
89316-44-9Acetic acid, [(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]-, methyl esterMethyl [(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]acetatemethyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetateOprea1_378791Oprea1_825491IFLab1_001554DTXSID70350463HMS1416G14STL511423AKOS000574853NCGC00674442-01
Show more names
Acetic acid, 2-[(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]-, methyl ester
SR-01000442819SR-01000442819-1methyl [(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetatemethyl 2-((2-oxo-4-phenyl-2H-chromen-7-yl)oxy)acetate
Database identifiers
- CAS
89316-44-9- PubChem CID
- 679757
- DTXSID
DTXSID70350463
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Boiling point
- 483.4 · 483.4±45.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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