Tricyclo(4.2.1.0.02,5)non-6-ene-dione, (1alpha,2alpha,5alpha,6alpha)-

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Basic information

CAS: 67792-55-6
Standard SMILES: O=C1C(=O)C2C3C=CC(C3)C12
InChIKey: RFKYFDOSOGLBRF-UHFFFAOYSA-N
Molecular formula: C9H8O2
Average molar mass: 148.16 g/mol
Monoisotopic mass: 148.05242949

Names & identifiers

Preferred name: Tricyclo(4.2.1.0.02,5)non-6-ene-dione, (1alpha,2alpha,5alpha,6alpha)-
IUPAC: tricyclo[4.2.1.02,5]non-7-ene-3,4-dione

Names & synonyms

67792-55-6Tricyclo(4.2.1.0.02,5)non-6-ene-dione, (1alpha,2alpha,5alpha,6alpha)-DTXSID30987133Tricyclo(4.2.1.02,5)non-7-ene-3,4-dione, (1alpha,2beta,5beta,6alpha)-Tricyclo[4.2.1.0.02,5]non-6-ene-dione, (1.alpha.,2.alpha.,5.alpha.,6.alpha.)-67843-63-4syn-Tricyclo[4.2.1.02,5]non-7-en-3,4-dioneTricyclo[4.2.1.0~2,5~]non-7-ene-3,4-dioneanti-Tricyclo[4.2.1.02,5]non-7-en-3,4-dione, (1.alpha.,2.alpha.,5.alpha.,6.alpha.)-Tricyclo[4.2.1.02,5]non-7-ene-3,4-dione, (1.alpha.,2.beta.,5.beta.,6.alpha.)-

Database identifiers

CAS: 67792-55-6、67843-63-4
PubChem CID: 144265
DTXSID: DTXSID30987133

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 262

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Compound notes

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