2-(1,3-Benzodioxol-5-yl)indene-1,3-dione
Basic information
- CAS
17253-14-4- Standard SMILES
O=C1c2ccccc2C(=O)C1c1ccc2c(c1)OCO2- InChIKey
YMZRAHGOXCLIFF-UHFFFAOYSA-N- Molecular formula
- C16H10O4
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.0579088
Names & identifiers
- Preferred name
- 2-(1,3-Benzodioxol-5-yl)indene-1,3-dione
- IUPAC
- 2-(1,3-benzodioxol-5-yl)indene-1,3-dione
Names & synonyms
17253-14-4ST50975084NSC507844SCHEMBL10557174DTXSID20325449AKOS024350657NSC-5078442-(2H-1,3-Benzodioxol-5-yl)-1H-indene-1,3(2H)-dione2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-hydrocyclopenta[1,2-a]benzene-1,3-dione
Database identifiers
- CAS
17253-14-4- PubChem CID
- 350154
- DTXSID
DTXSID20325449
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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