5,6-Dihydro-8,9-dimethyl-2H-benzo(6,7)cyclohepta(1,2-b)furan-2,3(4H)-dione

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Basic information

CAS: 7508-31-8
Standard SMILES: Cc1cc2c(cc1C)C1=C(CCC2)C(=O)C(=O)O1
InChIKey: LFHOIFAKXWBVBN-UHFFFAOYSA-N
Molecular formula: C15H14O3
Average molar mass: 242.27 g/mol
Monoisotopic mass: 242.0942943

Names & identifiers

Preferred name: 5,6-Dihydro-8,9-dimethyl-2H-benzo(6,7)cyclohepta(1,2-b)furan-2,3(4H)-dione
IUPAC: 12,13-dimethyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraene-4,5-dione

Names & synonyms

7508-31-8NSC 40149788RM6R8IK0NSC401497UNII-88RM6R8IK0NSC-4014975,6-Dihydro-8,9-dimethyl-2H-benzo(6,7)cyclohepta(1,2-b)furan-2,3(4H)-dione8,9-Dimethyl-5,6-dihydro-2H-benzo(6,7)cyclohepta(1,2-b)furan-2,3(4H)-dione8,9-Dimethyl-5,6-dihydro-2H-benzo[6,7]cyclohepta[1,2-b]furan-2,3(4H)-dioneDTXSID502260568,9-dimethyl-5,6-dihydro-4H-benzo[[?]:[?]]cyclohepta[[?]]furan-2,3-dione

Database identifiers

CAS: 7508-31-8
PubChem CID: 344533
DTXSID: DTXSID50226056
UNII: 88RM6R8IK0

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 435

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Compound notes

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