4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-

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Basic information

CAS: 51155-03-4
Standard SMILES: O=C1OC[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1
InChIKey: ZMBDOIYQGZHKEU-MVIOUDGNSA-N
Molecular formula: C8H10O3
Average molar mass: 154.16 g/mol
Monoisotopic mass: 154.06299418

Names & identifiers

Preferred name: 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-
IUPAC: (1S,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

Names & synonyms

4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-RefChem:106956451155-03-4(3a-alpha,4-beta,7-beta,7a-alpha)-Hexahydro-4,7-epoxyisobenzofuran-1(3H)-oneSCHEMBL9699655DTXSID80965426Hexahydro-4,7-epoxy-2-benzofuran-1(3H)-one(3aR,4R,7S,7aR)-Hexahydro-4,7-epoxy-2-benzofuran-1(3H)-one

Database identifiers

CAS: 51155-03-4
PubChem CID: 170987
DTXSID: DTXSID80965426
Nikkaji: J1.602.456B

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 213

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Compound notes

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