Salicylic acid, nicotinate
Basic information
- CAS
6629-79-4- Standard SMILES
O=C(Oc1ccccc1C(=O)O)c1cccnc1- InChIKey
NAKABSUZLYLPNN-UHFFFAOYSA-N- Molecular formula
- C13H9NO4
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.05315777
Names & identifiers
- Preferred name
- Salicylic acid, nicotinate
- IUPAC
- 2-(pyridine-3-carbonyloxy)benzoic acid
Names & synonyms
Salicylic acid, nicotinate6629-79-43-Pyridinecarboxylic acid, 2-carboxyphenyl esterUNII-288NV17HC1288NV17HC1NSC-57512DTXSID80216501NSC 57512RefChem:180926DTXCID401389922-(Nicotinoyloxy)benzoic acid2-(pyridine-3-carbonyloxy)benzoic acid
Show more names
NICOTINYLSALICYLIC ACIDnicotinatesalicylic acidSCHEMBL20475060NSC575122-[(Pyridine-3-carbonyl)oxy]benzoic acidQ27254287
Database identifiers
- CAS
6629-79-4- PubChem CID
- 23113
- DTXSID
DTXSID80216501- UNII
- 288NV17HC1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
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Related reactions
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Compound notes
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