(2-Oxochromen-4-yl) benzoate
Basic information
- CAS
16709-58-3- Standard SMILES
O=C(Oc1cc(=O)oc2ccccc12)c1ccccc1- InChIKey
XJVHOURXXNKDMD-UHFFFAOYSA-N- Molecular formula
- C16H10O4
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.0579088
Names & identifiers
- Preferred name
- (2-Oxochromen-4-yl) benzoate
- IUPAC
- (2-oxochromen-4-yl) benzoate
Names & synonyms
(2-oxochromen-4-yl) benzoate16709-58-3DTXSID30355212RefChem:206261DTXCID603062722-oxo-2H-chromen-4-yl benzoate2H-1-Benzopyran-2-one, 4-(benzoyloxy)-MLS001049026CHEMBL1714592SCHEMBL29468148HMS1580N04HMS2268E13
Show more names
STK321178AKOS0032390312-Oxo-2H-1-benzopyran-4-yl benzoateSMR000387054doi:10.14272/XJVHOURXXNKDMD-UHFFFAOYSA-N.1
Database identifiers
- CAS
16709-58-3- PubChem CID
- 794063
- DTXSID
DTXSID30355212- ChEMBL
CHEMBL1714592- Nikkaji
- J3.373.766A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
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Related reactions
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Compound notes
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