Basic information
- Standard SMILES
COC(=O)c1cc(CN)cc(OC)c1.Cl- InChIKey
CHIDFFLKAOZURB-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO3
- Average molar mass
- 231.67 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(aminomethyl)-5-methoxybenzoate hydrochloride
- IUPAC
- methyl 3-(aminomethyl)-5-methoxybenzoate;hydrochloride
Names & synonyms
Methyl 3-(aminomethyl)-5-methoxybenzoate hydrochloride1809064-96-7SCHEMBL17077559CHIDFFLKAOZURB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 118366264
Properties
Computed structural properties
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
8 records
Compound notes
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