4,7-Epoxy-1H-indene-1,3(2H)-dione, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-

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Basic information

CAS: 109428-60-6
Standard SMILES: O=C1CC(=O)[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1
InChIKey: UITACZFIINUHQR-SPJNRGJMSA-N
Molecular formula: C9H10O3
Average molar mass: 166.17 g/mol
Monoisotopic mass: 166.06299418

Names & identifiers

Preferred name: 4,7-Epoxy-1H-indene-1,3(2H)-dione, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-
IUPAC: (1S,2R,6S,7R)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione

Names & synonyms

4,7-Epoxy-1H-indene-1,3(2H)-dione, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-109428-60-6RefChem:1069557Hexahydro-4,7-epoxy-1H-indene-1,3(2H)-dione, (3a-alpha,4-beta,7-beta,7a-alpha)-SCHEMBL407914

Database identifiers

CAS: 109428-60-6
PubChem CID: 176121

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 245

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Compound notes

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