Basic information
- CAS
18429-50-0- Standard SMILES
Cl.O=C(OCc1cnc[nH]1)c1ccccc1O- InChIKey
BXNHAHOUWPOWGA-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O3
- Average molar mass
- 254.67 g/mol
- Monoisotopic mass
- 254.0458199
Names & identifiers
- Preferred name
- Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride
- IUPAC
- 1H-imidazol-5-ylmethyl 2-hydroxybenzoate;hydrochloride
Names & synonyms
Salicylic acid, imidazol-4-ylmethyl ester, monohydrochloride18429-50-0Imidazole-4-methanol, salicylate (ester), hydrochlorideDTXSID30171550RefChem:379854DTXCID8094041(1H-Imidazol-5-yl)methyl 2-hydroxybenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
18429-50-0- PubChem CID
- 205642
- DTXSID
DTXSID30171550
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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