Basic information
- CAS
42023-76-7- Standard SMILES
O=C(OCc1cccc[nH+]1)C(O)c1ccccc1.[Cl-]- InChIKey
ZVQGPOGFFMOISW-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO3
- Average molar mass
- 279.72 g/mol
- Monoisotopic mass
- 279.066221
Names & identifiers
- Preferred name
- Mandelic acid, 2-pyridylmethyl ester, hydrochloride
- IUPAC
- pyridin-1-ium-2-ylmethyl 2-hydroxy-2-phenylacetate chloride
Names & synonyms
MANDELIC ACID, 2-PYRIDYLMETHYL ESTER, HYDROCHLORIDE42023-76-7RefChem:10887922-Pyridylmethyl mandelate hydrochlorideMethanol, 2-pyridyl-, mandelate hydrochlorideF 1169Benzeneacetic acid, alpha-hydroxy-, (2-pyridylmethyl) ester, hydrochloride
Database identifiers
- CAS
42023-76-7- PubChem CID
- 39103
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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