1,4-Dioxaspiro[4.5]deca-6,9-diene-2,8-dione

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Basic information

CAS: 4385-47-1
Standard SMILES: O=C1C=CC2(C=C1)OCC(=O)O2
InChIKey: XNHHFDKEDIVWGW-UHFFFAOYSA-N
Molecular formula: C8H6O4
Average molar mass: 166.13 g/mol
Monoisotopic mass: 166.02660867

Names & identifiers

Preferred name: 1,4-Dioxaspiro[4.5]deca-6,9-diene-2,8-dione
IUPAC: 1,4-dioxaspiro[4.5]deca-6,9-diene-3,8-dione

Names & synonyms

4385-47-11,4-Dioxaspiro[4.5]deca-6,9-diene-2,8-dione1,4-dioxaspiro[4.5]deca-6,9-diene-3,8-dioneNSC365631DTXSID70320863XNHHFDKEDIVWGW-UHFFFAOYSA-NNSC-365631DS-008430

Database identifiers

CAS: 4385-47-1
PubChem CID: 339357
DTXSID: DTXSID70320863

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 284

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Compound notes

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