| CAS Number | 1375069-22-9 |
| Catalog Number | AG009WZZ(AGN-PC-0WA8DS) |
| Chemical Name | 3-Carboxymethyl-3'-(pyrrolidinocarbony)biphenyl |
| IUPAC Name | 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid |
| InChI | InChI=1S/C19H19NO3/c21-18(22)12-14-5-3-6-15(11-14)16-7-4-8-17(13-16)19(23)20-9-1-2-10-20/h3-8,11,13H,1-2,9-10,12H2,(H,21,22) |
| InChI Key | SGJAIVPQDHGHHV-UHFFFAOYSA-N |
| MDL Number | MFCD22205797 |
| Molecular Formula | C19H19NO3 |
| Molecular Weight | 309.3591 |
| SMILES | OC(=O)Cc1cccc(c1)c1cccc(c1)C(=O)N1CCCC1 |
| Synonyms | 3-Carboxymethyl-3'-(pyrrolidinocarbony)biphenyl,
1375069-22-9,
MFCD22205797,
ZINC95495642,
AKOS026673097,
B-8658,
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| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.365g/mol |
| Monoisotopic Mass | 309.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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