| CAS Number | 31981-53-0 |
| Catalog Number | AG00I625(AGN-PC-0WOHXX) |
| Chemical Name | 2-[(2-Nitrophenyl)amino]propanoic acid |
| IUPAC Name | 2-(2-nitroanilino)propanoic acid |
| InChI | InChI=1S/C9H10N2O4/c1-6(9(12)13)10-7-4-2-3-5-8(7)11(14)15/h2-6,10H,1H3,(H,12,13) |
| InChI Key | ICWPKCBMLYYZRP-UHFFFAOYSA-N |
| MDL Number | MFCD00458215 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | OC(=O)C(Nc1ccccc1[N+](=O)[O-])C |
| Synonyms | 2-[(2-Nitrophenyl)amino]propanoic acid,
31981-53-0,
SCHEMBL1985402,
AKOS000125754,
AKOS022483407,
Y2243,
F1911-3494,
C9H10N2O4,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.189g/mol |
| Monoisotopic Mass | 210.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number