| CAS Number | 1181320-54-6 |
| Catalog Number | AG003I7W(AGN-PC-0WP1PG) |
| Chemical Name | 3'-(Dimethylamino)biphenyl-3-carboxylic acid |
| IUPAC Name | 3-[3-(dimethylamino)phenyl]benzoic acid |
| InChI | InChI=1S/C15H15NO2/c1-16(2)14-8-4-6-12(10-14)11-5-3-7-13(9-11)15(17)18/h3-10H,1-2H3,(H,17,18) |
| InChI Key | IGKUVSHRCBIVKZ-UHFFFAOYSA-N |
| MDL Number | MFCD11895576 |
| Molecular Formula | C15H15NO2 |
| Molecular Weight | 241.2851 |
| SMILES | CN(c1cccc(c1)c1cccc(c1)C(=O)O)C |
| Synonyms | 1181320-54-6,
3'-(DIMETHYLAMINO)BIPHENYL-3-CARBOXYLIC ACID,
3-(Dimethylamino)biphenyl-3-carboxylic acid,
3-[3-(dimethylamino)phenyl]benzoic acid,
CTK4B0572,
DTXSID20653496,
MFCD11895576,
ZINC31996916,
AKOS015850829,
TR-034189,
3'-(Dimethylamino)[1,1'-biphenyl]-3-carboxylic acid,
3'-(Dimethylamino)-[1,1'-biphenyl]-3-carboxylic acid,
AV4,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.29g/mol |
| Monoisotopic Mass | 241.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number