7a,9a-Dihydro,1,7a,9a-trimethyl-3H-(1,2)dioxeto(3',4':4,5)furo(3,2-f)benzopyran-3-one

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Basic information

CAS: 129812-26-6
Standard SMILES: Cc1cc(=O)oc2ccc3c(c12)C1(C)OOC1(C)O3
InChIKey: IWKVORJQUCGMGE-UHFFFAOYSA-N
Molecular formula: C14H12O5
Average molar mass: 260.24 g/mol
Monoisotopic mass: 260.06847348

Names & identifiers

Preferred name: 7a,9a-Dihydro,1,7a,9a-trimethyl-3H-(1,2)dioxeto(3',4':4,5)furo(3,2-f)benzopyran-3-one
IUPAC: 3,12,15-trimethyl-6,11,13,14-tetraoxatetracyclo[8.5.0.02,7.012,15]pentadeca-1(10),2(7),3,8-tetraen-5-one

Names & synonyms

CCRIS 4165129812-26-67a,9a-Dihydro,1,7a,9a-trimethyl-3H-(1,2)dioxeto(3',4':4,5)furo(3,2-f)benzopyran-3-oneRefChem:311318DTXSID10926505IWKVORJQUCGMGE-UHFFFAOYSA-N1,7a,9a-Trimethyl-7a,9a-dihydro-3H-[1,2]dioxeto[3',4':4,5]furo[3,2-f]chromen-3-one #1,7a,9a-Trimethyl-7a,9a-dihydro-3H-[1,2]dioxeto[3',4':4,5]furo[3,2-f][1]benzopyran-3-one3H-[1,2]Dioxeto[3',4':4,5]furo[3,2-f][1]benzopyran-3-one, 7a,9a-dihydro-1,7a,9a-trimethyl-7A,9A-DIHYDRO,1,7A,9A-TRIMETHYL-3H-[1,2]DIOXETO[3',4':4,5]FURO[3,2-F]BENZOPYRAN- 3-ONE

Database identifiers

CAS: 129812-26-6
PubChem CID: 154332
DTXSID: DTXSID10926505

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 486

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Compound notes

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