Basic information
- CAS
110065-66-2- Standard SMILES
COC(=O)c1cc(N)ccc1O.Cl- InChIKey
OEOSSGDBJRJDHN-UHFFFAOYSA-N- Molecular formula
- C8H10ClNO3
- Average molar mass
- 203.62 g/mol
- Monoisotopic mass
- 203.0349209
Names & identifiers
- Preferred name
- Methyl 5-aminosalicylate hydrochloride
- IUPAC
- methyl 5-amino-2-hydroxybenzoate;hydrochloride
Names & synonyms
110065-66-2Methyl 5-aminosalicylate hydrochloridemethyl 5-amino-2-hydroxybenzoate hydrochlorideMethyl 5-aminosalicylate HClDTXSID60911486AKOS016367405DB-417438Methyl 5-amino-2-hydroxybenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
110065-66-2- PubChem CID
- 176152
- DTXSID
DTXSID60911486
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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