| CAS Number | 1149387-98-3 |
| Catalog Number | AG0091I8 |
| Chemical Name | 2-(3-Carbamoylphenyl)acetic acid |
| IUPAC Name | 2-(3-carbamoylphenyl)acetic acid |
| InChI | InChI=1S/C9H9NO3/c10-9(13)7-3-1-2-6(4-7)5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12) |
| InChI Key | NLFWSRHYLZXQQK-UHFFFAOYSA-N |
| MDL Number | MFCD20660295 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | NC(C1=CC(CC(O)=O)=CC=C1)=O |
| Synonyms | 2-(3-carbamoylphenyl)acetic acid,
1149387-98-3,
2-[3-(aminocarbonyl)phenyl]acetic acid,
SCHEMBL2426602,
NLFWSRHYLZXQQK-UHFFFAOYSA-N,
AKOS034120214,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number