| CAS Number | 99060-39-6 |
| Catalog Number | AG01BG9T |
| Chemical Name | 3-(2-carbamoylphenyl)propanoic acid |
| IUPAC Name | 3-(2-carbamoylphenyl)propanoic acid |
| InChI | InChI=1S/C10H11NO3/c11-10(14)8-4-2-1-3-7(8)5-6-9(12)13/h1-4H,5-6H2,(H2,11,14)(H,12,13) |
| InChI Key | NPFASVOXDYMQKM-UHFFFAOYSA-N |
| MDL Number | MFCD28383808 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | NC(C1=C(CCC(O)=O)C=CC=C1)=O |
| Synonyms | 3-(2-carbamoylphenyl)propanoic acid,
99060-39-6,
SCHEMBL17871919,
ZINC98210067,
AKOS026436618,
Z1945984222,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number