Methyl 3-(2H-1,3-benzodioxol-5-YL)-5-hydroxybenzoate
Basic information
- CAS
1820684-07-8- Standard SMILES
COC(=O)c1cc(O)cc(-c2ccc3c(c2)OCO3)c1- InChIKey
IAMSTNAQLCYGDV-UHFFFAOYSA-N- Molecular formula
- C15H12O5
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.06847348
Names & identifiers
- Preferred name
- Methyl 3-(2H-1,3-benzodioxol-5-YL)-5-hydroxybenzoate
- IUPAC
- methyl 3-(1,3-benzodioxol-5-yl)-5-hydroxybenzoate
Names & synonyms
METHYL 3-(2H-1,3-BENZODIOXOL-5-YL)-5-HYDROXYBENZOATE1820684-07-8DTXSID901174338methyl 3-(1,3-benzodioxol-5-yl)-5-hydroxybenzoateMETHYL3-(2H-1,3-BENZODIOXOL-5-YL)-5-HYDROXYBENZOATEBenzoic acid, 3-(1,3-benzodioxol-5-yl)-5-hydroxy-, methyl ester
Database identifiers
- CAS
1820684-07-8- PubChem CID
- 75488441
- DTXSID
DTXSID901174338
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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