Basic information
- CAS
72590-26-2- Standard SMILES
COC1=CC(=O)C(Cc2ccc3c(c2)OCO3)=CC1=O- InChIKey
LDRMNMGBSLCCNH-UHFFFAOYSA-N- Molecular formula
- C15H12O5
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.06847348
Names & identifiers
- Preferred name
- 2-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
72590-26-2NSC269127DTXSID303133372-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-methoxycyclohexa-2,5-diene-1,4-dioneNSC-269127OBTUSAQUINONE DERIV JURD 2562
Database identifiers
- CAS
72590-26-2- PubChem CID
- 320682
- DTXSID
DTXSID30313337
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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