Basic information
- CAS
42023-72-3- Standard SMILES
CC(=O)OC(C(=O)OCc1cccc[nH+]1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
WFXMXUQTKASDSI-UHFFFAOYSA-N- Molecular formula
- C22H20ClNO4
- Average molar mass
- 397.8 g/mol
- Monoisotopic mass
- 397.1080858
Names & identifiers
- Preferred name
- (Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- pyridin-1-ium-2-ylmethyl 2-acetyloxy-2,2-diphenylacetate chloride
Names & synonyms
42023-72-3DTXSID90962209(Pyridin-2-yl)methyl (acetyloxy)(diphenyl)acetate--hydrogen chloride (1/1)RefChem:1051034DTXCID001390022Acetic acid, acetoxydiphenyl-, 2-pyridylmethyl ester, hydrochlorideF 1175Methanol, 2-pyridyl-, alpha-phenylmandelate acetate hydrochlorideMANDELIC ACID, alpha-PHENYL-, 2-PYRIDYLMETHYL ESTER, ACETATE, HYDROCHLORIDE
Database identifiers
- CAS
42023-72-3- PubChem CID
- 39097
Properties
Computed structural properties
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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