Basic information
- CAS
5432-93-9- Standard SMILES
COc1ccc(C(=O)OCc2ccc3c(c2)OCO3)cc1- InChIKey
NXXZETZRHIFIPW-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-ylmethyl 4-methoxybenzoate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl 4-methoxybenzoate
- English name
- benzo[1,3]dioxol-5-ylmethyl 4-methoxybenzoate
- Molecular formula
- C16H14O5
- Molecular weight
- 286.28
Names & synonyms
5432-93-91,3-benzodioxol-5-ylmethyl 4-methoxybenzoateNSC23953BENZO[1,3]DIOXOL-5-YLMETHYL 4-METHOXYBENZOATEBenzoic acid,4-methoxy-, 1,3-benzodioxol-5-ylmethyl esterDTXSID60282047NSC-23953AKOS008351362(2H-1,3-Benzodioxol-5-yl)methyl 4-methoxybenzoateBenzoic acid, 4-methoxy-, 1,3-benzodioxol-5-ylmethyl ester
Database identifiers
- CAS
5432-93-9- PubChem CID
- 229890
- DTXSID
DTXSID60282047
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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