Acetic acid, (4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)(4-oxo-4H-1-benzopyran-3-yl)-, ethyl ester
Basic information
- CAS
2183-16-6- Standard SMILES
CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1coc2ccccc2c1=O- InChIKey
ORNJEIALHPNEKH-UHFFFAOYSA-N- Molecular formula
- C22H16O7
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.08960285
Names & identifiers
- Preferred name
- Acetic acid, (4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)(4-oxo-4H-1-benzopyran-3-yl)-, ethyl ester
- IUPAC
- ethyl 2-(4-hydroxy-2-oxochromen-3-yl)-2-(4-oxochromen-3-yl)acetate
Names & synonyms
2183-16-6Acetic acid, (4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)(4-oxo-4H-1-benzopyran-3-yl)-, ethyl esterRefChem:1075619BRN 1332696(4-Hydroxy-2-oxo-2H-1-benzopyran-3-yl)(4-oxo-4H-1-benzopyran-3-yl)acetic acid ethyl esterEthyl chromonyl-(3)4'-hydroxycoumarinyl-(3')-acetateDTXSID80944433Ethylesteru kyseliny (chromonyl-3)-(4-hydroxykumarinyl-3)-octove [Czech]Ethylesteru kyseliny (chromonyl-3)-(4-hydroxykumarinyl-3)-octoveEthyl (2-hydroxy-4-oxo-4H-1-benzopyran-3-yl)(4-oxo-4H-1-benzopyran-3-yl)acetate
Database identifiers
- CAS
2183-16-6- PubChem CID
- 54690293
- DTXSID
DTXSID80944433
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 765
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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