CAS 4355-31-1 3-Oxabicyclo[3.3.1]nonane-2,4-dione (HCID 419506)

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Basic information

CAS: 4355-31-1
Standard SMILES: O=C1OC(=O)C2CCCC1C2
InChIKey: VBWJPSYCWGSKND-UHFFFAOYSA-N
Molecular formula: C8H10O3
Average molar mass: 154.16 g/mol
Monoisotopic mass: 154.06299418

Names & identifiers

Preferred name: 3-Oxabicyclo[3.3.1]nonane-2,4-dione
IUPAC: 3-oxabicyclo[3.3.1]nonane-2,4-dione
English name: CIS-1,3-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE
Molecular formula: C8H10O3
Molecular weight: 154.16

Names & synonyms

3-oxabicyclo[3.3.1]nonane-2,4-dione4355-31-1MFCD00077243SCHEMBL62433DTXSID70329331EAA355311,3-cyclohexanedicarboxylic anhydrideAKOS016017527NSC-1155173-oxabicyclo[3.3.1]nonan-2,4-dione3-oxa-bicyclo[3.3.1]nonane-2,4-dioneAS-64905

Show more names

3-oxabicyclo[3.3.1]nonane-2,4-quinone3-oxabicyclo[3.3.1]nonane-2,4-dionato(5-)CIS-1,3-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE

3-Oxabicyclo[3.3. 1]nonane-2,4-dioneDB-152183CS-0271509EN300-187314F492273

Database identifiers

CAS: 4355-31-1
PubChem CID: 419506
DTXSID: DTXSID70329331
Nikkaji: J2.187.166D

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 189

Physicochemical properties

Melting point: 188 · 188-189 °C
Boiling point: 300.6 · 300.6±11.0 °C(Predicted)
Density: 1.235 · 1.235±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338