Ethyl 2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
Basic information
- CAS
720-72-9- Standard SMILES
CCOC(=O)C1Cc2ccccc2OC1=O- InChIKey
IYVVKNDTHNYAPU-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- Ethyl 2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylate
- IUPAC
- ethyl 2-oxo-3,4-dihydrochromene-3-carboxylate
Names & synonyms
720-72-9Ethyl 2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylateDTXSID20319085RefChem:342942DTXCID20270208NSC339624SCHEMBL13520076NSC-339624DS-004109ethyl 2-oxo-3,4-dihydro-2h-chromen-3-carboxylate2H-1-BENZOPYRAN-3-CARBOXYLICACID, 3,4-DIHYDRO-2-OXO-, ETHYL ESTER
Database identifiers
- CAS
720-72-9- PubChem CID
- 334443
- DTXSID
DTXSID20319085- Nikkaji
- J1.570.116A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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