Basic information
- CAS
101710-93-4- Standard SMILES
C[NH+]1CC=C(COC(=O)C(O)(c2ccccc2)C2CC2)CC1.[Cl-]- InChIKey
VNKAUVLRVFHBCJ-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO3
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.1444713
Names & identifiers
- Preferred name
- Mandelic acid, alpha-cyclopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride
- IUPAC
- (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-93-4Mandelic acid, alpha-cyclopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochlorideRefChem:1088814alpha-Cyclopropylmandelic acid (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester HCl
Database identifiers
- CAS
101710-93-4- PubChem CID
- 58799
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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