10-Methyl-2,7-dioxatricyclo[7.6.2.012,16]heptadeca-1(15),9,12(16),13-tetraene-6,11,17-trione
Basic information
- CAS
90718-43-7- Standard SMILES
CC1=C2COC(=O)CCCOc3cccc(c3C2=O)C1=O- InChIKey
CONWLENWCLNVGI-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- 10-Methyl-2,7-dioxatricyclo[7.6.2.012,16]heptadeca-1(15),9,12(16),13-tetraene-6,11,17-trione
- IUPAC
- 10-methyl-2,7-dioxatricyclo[7.6.2.012,16]heptadeca-1(15),9,12(16),13-tetraene-6,11,17-trione
Names & synonyms
NSC36758890718-43-7DTXSID90320986NSC-36758815-Methyl-3,4-dihydro-7H,9H-10,8-(ethanylylidene)-1,6-benzodioxacycloundecine-5,9,14(2H)-trione
Database identifiers
- CAS
90718-43-7- PubChem CID
- 339753
- DTXSID
DTXSID90320986
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 519
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Compound notes
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