2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester
Basic information
- CAS
53992-24-8- Standard SMILES
O=C(Oc1ccccc1)c1cc2ccccc2oc1=O- InChIKey
OZSQFAOGBXJZMW-UHFFFAOYSA-N- Molecular formula
- C16H10O4
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.0579088
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, phenyl ester
- IUPAC
- phenyl 2-oxochromene-3-carboxylate
Names & synonyms
53992-24-82H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, PHENYL ESTERDTXSID30202297RefChem:1065192DTXCID30124788phenyl 2-oxo-2H-chromene-3-carboxylate4-18-00-05571 (Beilstein Handbook Reference)phenyl 2-oxochromene-3-carboxylatePhenyl coumarin-3-carboxylate2-Oxo-2H-1-benzopyran-3-carboxylic acid phenyl esterBRN 0224490Oprea1_139307
Show more names
Oprea1_274420MLS000679003CHEMBL446216IFLab1_003336SCHEMBL15842719BDBM235613-Carboxylate-coumarin deriv., 1HMS1421H14
Database identifiers
- CAS
53992-24-8- PubChem CID
- 40956
- DTXSID
DTXSID30202297- ChEMBL
CHEMBL446216- Nikkaji
- J1.323.142G
Properties
Computed structural properties
- XLogP
- 3.5
- 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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