| CAS Number | 1183435-02-0 |
| Catalog Number | AG019ZD1 |
| Chemical Name | methyl 3-[(3-nitropyridin-2-yl)amino]propanoate |
| IUPAC Name | methyl 3-[(3-nitropyridin-2-yl)amino]propanoate |
| InChI | InChI=1S/C9H11N3O4/c1-16-8(13)4-6-11-9-7(12(14)15)3-2-5-10-9/h2-3,5H,4,6H2,1H3,(H,10,11) |
| InChI Key | IEMSOECFYUXXLD-UHFFFAOYSA-N |
| MDL Number | MFCD12797437 |
| Molecular Formula | C9H11N3O4 |
| Molecular Weight | 225.2013 |
| SMILES | COC(CCNC1=C([N+]([O-])=O)C=CC=N1)=O |
| Synonyms | methyl 3-[(3-nitropyridin-2-yl)amino]propanoate,
1183435-02-0,
ZINC37485724,
AKOS008924288,
MCULE-9837882928,
NE35575,
Z31167323,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.204g/mol |
| Monoisotopic Mass | 225.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 97A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number