1,3-Benzodioxol-5-ylmethyl benzoate
Basic information
- CAS
5469-06-7- Standard SMILES
O=C(OCc1ccc2c(c1)OCO2)c1ccccc1- InChIKey
KMQBYAFOOFDSCK-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-ylmethyl benzoate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl benzoate
Names & synonyms
1,3-benzodioxol-5-ylmethyl benzoate5469-06-7DTXSID80280161RefChem:217839DTXCID80231315NSC15718NSC-15718AKOS017016396(2H-1,3-Benzodioxol-5-yl)methyl benzoate
Database identifiers
- CAS
5469-06-7- PubChem CID
- 225877
- DTXSID
DTXSID80280161
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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