| CAS Number | 1261997-49-2 |
| Catalog Number | AG009WYV(AGN-PC-0WA79Q) |
| Chemical Name | 3-(3-Aminocarbonylphenyl)benzoic acid |
| IUPAC Name | 3-(3-carbamoylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11NO3/c15-13(16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(17)18/h1-8H,(H2,15,16)(H,17,18) |
| InChI Key | PIFZQEAEPZKVIE-UHFFFAOYSA-N |
| MDL Number | MFCD18312618 |
| Molecular Formula | C14H11NO3 |
| Molecular Weight | 241.2420 |
| SMILES | NC(=O)c1cccc(c1)c1cccc(c1)C(=O)O |
| Synonyms | 3-(3-AMINOCARBONYLPHENYL)BENZOIC ACID,
1261997-49-2,
SCHEMBL18397582,
CTK5G2995,
DTXSID30683289,
MFCD18312618,
ZINC65339755,
3'-Carbamoyl[1,1'-biphenyl]-3-carboxylic acid,
3'-Carbamoyl-[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3,3'-dicarboxylicacid, 3-methyl ester,
3- benzoicacid,
893736-81-7,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.246g/mol |
| Monoisotopic Mass | 241.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number