Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate

HCID 264706

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Basic information

CAS: 90673-92-0
Standard SMILES: CCOC(=O)C1CC2OC1C1OC21
InChIKey: CTBFCPLDMFYQOQ-UHFFFAOYSA-N
Molecular formula: C9H12O4
Average molar mass: 184.19 g/mol
Monoisotopic mass: 184.07355886

Names & identifiers

Preferred name: Ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate
IUPAC: ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylate

Names & synonyms

90673-92-0ethyl 3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylateNSC99907NCIOpen2_002213SCHEMBL6765529DTXSID20295153NSC-99907Ethyl 3,8-dioxatricyclo[3.2.1.0~2,4~]octane-6-carboxylate

Database identifiers

CAS: 90673-92-0
PubChem CID: 264706
DTXSID: DTXSID20295153

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 48.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 252

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