Basic information
- CAS
18429-74-8- Standard SMILES
COc1cc(C(=O)OCc2c[nH+]c[nH]2)cc(OC)c1OC.[Cl-]- InChIKey
LLFHOORQLLXOOM-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O5
- Average molar mass
- 328.75 g/mol
- Monoisotopic mass
- 328.0825993
Names & identifiers
- Preferred name
- (1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride
Names & synonyms
18429-74-8DTXSID30939814(1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)RefChem:1049397DTXCID301368303BENZOIC ACID, 3,4,5-TRIMETHOXY-, IMIDAZOL-4-YLMETHYL ESTER, MONOHYDROCHLORIDE3,4,5-Trimethoxybenzoic acid imidazol-4-ylmethyl ester hydrochlorideImidazole-4-methanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride
Database identifiers
- CAS
18429-74-8- PubChem CID
- 29065
Properties
Computed structural properties
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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