| CAS Number | 1375068-92-0 |
| Catalog Number | AG009WLA(AGN-PC-0WA8DR) |
| Chemical Name | 3-Carboxymethyl-3'-(dimethylaminocarbonyl)biphenyl |
| IUPAC Name | 2-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]acetic acid |
| InChI | InChI=1S/C17H17NO3/c1-18(2)17(21)15-8-4-7-14(11-15)13-6-3-5-12(9-13)10-16(19)20/h3-9,11H,10H2,1-2H3,(H,19,20) |
| InChI Key | DOMOSSVLTMAYES-UHFFFAOYSA-N |
| MDL Number | MFCD22205796 |
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.3218 |
| SMILES | OC(=O)Cc1cccc(c1)c1cccc(c1)C(=O)N(C)C |
| Synonyms | 3-Carboxymethyl-3'-(dimethylaminocarbonyl)biphenyl,
1375068-92-0,
ACMC-209cd8,
CTK8B0652,
DTXSID10742984,
ANW-20298,
MFCD22205796,
ZINC85477222,
TC-109043,
B-8657,
[3'-(Dimethylcarbamoyl)[1,1'-biphenyl]-3-yl]acetic acid,
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| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.327g/mol |
| Monoisotopic Mass | 283.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number