| CAS Number | 1354957-82-6 |
| Catalog Number | AG019SYF |
| Chemical Name | 2-(1-Benzylpyrrolidin-3-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(1-benzylpyrrolidin-3-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c15-13(16)8-12-6-7-14(10-12)9-11-4-2-1-3-5-11;/h1-5,12H,6-10H2,(H,15,16);1H |
| InChI Key | WRJMRACGAMJSSM-UHFFFAOYSA-N |
| MDL Number | MFCD20731168 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.OC(CC1CN(CC2=CC=CC=C2)CC1)=O |
| Synonyms | 2-(1-benzylpyrrolidin-3-yl)acetic acid hydrochloride,
1354957-82-6,
Z1272739429,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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