| CAS Number | 1909304-97-7 |
| Catalog Number | AG01C4JN |
| Chemical Name | 1-(pyridin-4-yl)pyrrolidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 1-pyridin-4-ylpyrrolidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H12N2O2.ClH/c13-10(14)8-3-6-12(7-8)9-1-4-11-5-2-9;/h1-2,4-5,8H,3,6-7H2,(H,13,14);1H |
| InChI Key | VCECPBVAVOKMCZ-UHFFFAOYSA-N |
| MDL Number | MFCD29763133 |
| Molecular Formula | C10H13ClN2O2 |
| Molecular Weight | 228.6754 |
| SMILES | Cl.OC(C1CN(C2=CC=NC=C2)CC1)=O |
| Synonyms | 1909304-97-7,
1-(pyridin-4-yl)pyrrolidine-3-carboxylic acid hydrochloride,
Z2429425688,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.676g/mol |
| Monoisotopic Mass | 228.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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