Completing data — usually done within a minute
Basic information
- CAS
168271-92-9- Standard SMILES
CCOC(=O)c1coc2c1C(=O)CCC2- InChIKey
ANGLQDXWZIXJCL-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- Ethyl 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylate
Names & synonyms
168271-92-9Ethyl 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylateDTXSID10469705RefChem:344076DTXCID60420523Ethyl 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylateETHYL 4-OXO-6,7-DIHYDRO-5H-1-BENZOFURAN-3-CARBOXYLATE3-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-4-oxo-, ethyl esterSCHEMBL4899883ANGLQDXWZIXJCL-UHFFFAOYSA-NDA-33947
Database identifiers
- CAS
168271-92-9- PubChem CID
- 11629833
- DTXSID
DTXSID10469705- Nikkaji
- J2.604.301H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Related reactions
13 records
Compound notes
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