Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester
(1-methylpyrrolidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate
Also Known As: ACMC-20m4qn|AC1L1PUS|RefChem:1088801|AC1Q61TW|CTK4A0142|MWQQUDKRJVZOJN-UHFFFAOYSA-N|alpha-(1-Propynyl)mandelic acid 1-methyl-3-pyrrolidinyl ester|NCI60_022539|J147.731E|(1-methylpyrrolidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate|1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate A|1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate B|1-Methyl-3-pyrrolidinyl 2-hydroxy-2-phenyl-3-pentynoate|MANDELIC ACID, alpha-(1-PROPYNYL)-, 1-METHYL-3-PYRROLIDINYL ESTER|1-Methylpyrrolidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate|Benzeneacetic acid, a-hydroxy-a-1-propyn-1-yl-,1-methyl-3-pyrrolidinyl ester|(1-METHYLPYRROLIDIN-3-YL) 2-HYDROXY-2-PHENYL-PENT-3-YNOATE|alpha-(1-Propynyl)-alpha-hydroxybenzeneacetic acid 1-methyl-3-pyrrolidinyl ester|Benzeneacetic acid, alpha-hydroxy-alpha-1-propyn-1-yl-, 1-methyl-3-pyrrolidinyl ester
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.1365 g/mol |
| LogP | 1.14 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 531.6 |
Chemical Identifiers
| CAS Number | 101711-17-5 |
|---|---|
| SMILES | CC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(C2)C)O |
Product Overview
Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester (CAS 101711-17-5), with molecular formula C16H19NO3 and molecular weight 273.1365 g/mol. IUPAC: (1-methylpyrrolidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate.
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