| CAS Number | 946598-41-0 |
| Catalog Number | AG01C5XY |
| Chemical Name | 4-(3-hydroxypyrrolidin-1-yl)benzoic acid |
| IUPAC Name | 4-(3-hydroxypyrrolidin-1-yl)benzoic acid |
| InChI | InChI=1S/C11H13NO3/c13-10-5-6-12(7-10)9-3-1-8(2-4-9)11(14)15/h1-4,10,13H,5-7H2,(H,14,15) |
| InChI Key | QLVDGJQLISBZFZ-UHFFFAOYSA-N |
| MDL Number | MFCD17249757 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | OC1CN(C2=CC=C(C(O)=O)C=C2)CC1 |
| Synonyms | 4-(3-hydroxypyrrolidin-1-yl)benzoic acid,
946598-41-0,
SCHEMBL211001,
AKOS012239949,
F2167-4000,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number