| CAS Number | 866156-87-8 |
| Catalog Number | AG00IX3O(AGN-PC-0WB161) |
| Chemical Name | 1-(3-Nitropyridin-2-yl)azetidine-3-carboxylic acid |
| IUPAC Name | 1-(3-nitropyridin-2-yl)azetidine-3-carboxylic acid |
| InChI | InChI=1S/C9H9N3O4/c13-9(14)6-4-11(5-6)8-7(12(15)16)2-1-3-10-8/h1-3,6H,4-5H2,(H,13,14) |
| InChI Key | GRLPBYBNIZQBLL-UHFFFAOYSA-N |
| MDL Number | MFCD05669915 |
| Molecular Formula | C9H9N3O4 |
| Molecular Weight | 223.1855 |
| SMILES | [N+](=O)([O-])C=1C(=NC=CC1)N1CC(C1)C(=O)O |
| Synonyms | 1-(3-nitropyridin-2-yl)azetidine-3-carboxylic Acid,
1-(3-nitro-2-pyridinyl)-3-azetanecarboxylic acid,
866156-87-8,
AC1MQIND,
MLS000736137,
CHEMBL1570181,
HMS2661B07,
ZINC4108296,
AKOS005107785,
MCULE-2690733546,
MS-2429,
KS-0000284O,
SMR000338687,
SR-01000308530,
SR-01000308530-1,
CID3452384,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.188g/mol |
| Monoisotopic Mass | 223.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number