Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate

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Basic information

CAS: 67498-38-8
Standard SMILES: CCOC(=O)C1=CC(C)(C)OC1=O
InChIKey: UPSCNRAMJCKATF-UHFFFAOYSA-N
Molecular formula: C9H12O4
Average molar mass: 184.19 g/mol
Monoisotopic mass: 184.07355886

Names & identifiers

Preferred name: Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate
IUPAC: ethyl 5,5-dimethyl-2-oxofuran-3-carboxylate

Names & synonyms

67498-38-8Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylateDTXSID50320785RefChem:344116DTXCID10271906NSC364303ETHYL 5,5-DIMETHYL-2-OXO-FURAN-3-CARBOXYLATESCHEMBL30275681NSC-364303DS-001459

Database identifiers

CAS: 67498-38-8
PubChem CID: 339158
DTXSID: DTXSID50320785
Nikkaji: J3.164.842D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 275

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