1,3-Benzodioxol-5-ylmethanediyl diacetate
Basic information
- CAS
6301-72-0- Standard SMILES
CC(=O)OC(OC(C)=O)c1ccc2c(c1)OCO2- InChIKey
KLVFTBKCHDAZFB-UHFFFAOYSA-N- Molecular formula
- C12H12O6
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.0633881
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-ylmethanediyl diacetate
- IUPAC
- [acetyloxy(1,3-benzodioxol-5-yl)methyl] acetate
Names & synonyms
1,3-benzodioxol-5-ylmethanediyl diacetate6301-72-0DTXSID20285670RefChem:217838DTXCID40236821NSC42597SCHEMBL27699145NSC-42597(2H-1,3-Benzodioxol-5-yl)methylene diacetate
Database identifiers
- CAS
6301-72-0- PubChem CID
- 238286
- DTXSID
DTXSID20285670- Nikkaji
- J836.170C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
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Compound notes
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