| CAS Number | 1090858-69-7 |
| Catalog Number | AG01C505 |
| Chemical Name | 1-(2-hydroxyethyl)-5-nitro-1,2-dihydropyridin-2-one |
| IUPAC Name | 1-(2-hydroxyethyl)-5-nitropyridin-2-one |
| InChI | InChI=1S/C7H8N2O4/c10-4-3-8-5-6(9(12)13)1-2-7(8)11/h1-2,5,10H,3-4H2 |
| InChI Key | GPJOPFUPJAWPCQ-UHFFFAOYSA-N |
| MDL Number | MFCD11823874 |
| Molecular Formula | C7H8N2O4 |
| Molecular Weight | 184.1494 |
| SMILES | OCCN1C(=O)C=CC([N+]([O-])=O)=C1 |
| Synonyms | 1-(2-hydroxyethyl)-5-nitro-1,2-dihydropyridin-2-one,
1090858-69-7,
ZINC32788857,
AKOS009224152,
MCULE-5160149613,
AB00989572-01,
Z335678798,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.151g/mol |
| Monoisotopic Mass | 184.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number