Ethyl 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
Basic information
- CAS
100117-42-8- Standard SMILES
CCOC(=O)c1ccc2c(c1)CC(C)O2- InChIKey
POJBSPABXAWZKN-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- Ethyl 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
- IUPAC
- ethyl 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
Names & synonyms
100117-42-8Ethyl 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylateDTXSID30603189RefChem:342878DTXCID60553946ethyl 2-methyl-2,3-dihydrobenzofuran-5-carboxylateSCHEMBL10366432
Database identifiers
- CAS
100117-42-8- PubChem CID
- 20163657
- DTXSID
DTXSID30603189- Nikkaji
- J3.138.655A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
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Compound notes
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