Basic information
- CAS
53890-73-6- Standard SMILES
O=C(OCc1ccc[nH+]c1)c1ccccc1O.[Cl-]- InChIKey
QBKWBUMZNBVBQP-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO3
- Average molar mass
- 265.69 g/mol
- Monoisotopic mass
- 265.0505709
Names & identifiers
- Preferred name
- 3-Pyridylmethyl salicylate hydrochloride
- IUPAC
- pyridin-1-ium-3-ylmethyl 2-hydroxybenzoate chloride
Names & synonyms
3-Pyridylmethyl salicylate hydrochloride53890-73-63-Pyridylmethylsalicylate hydrochlorideSalicylic acid, 3-pyridylmethyl ester, hydrochlorideS-2063BENZOIC ACID, 2-HYDROXY-, 3-PYRIDINYLMETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
53890-73-6- PubChem CID
- 40917
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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