| CAS Number | 859776-95-7 |
| Catalog Number | AG00IDU6(AGN-PC-0WA93O) |
| Chemical Name | 4-(2-Hydroxyethoxy)-3-nitropyridine |
| IUPAC Name | 2-(3-nitropyridin-4-yl)oxyethanol |
| InChI | InChI=1S/C7H8N2O4/c10-3-4-13-7-1-2-8-5-6(7)9(11)12/h1-2,5,10H,3-4H2 |
| InChI Key | VXSWGQCWDQHEPC-UHFFFAOYSA-N |
| MDL Number | MFCD22586694 |
| Molecular Formula | C7H8N2O4 |
| Molecular Weight | 184.1494 |
| SMILES | OCCOc1ccncc1[N+](=O)[O-] |
| Synonyms | 4-(2-Hydroxyethoxy)-3-nitropyridine,
859776-95-7,
KM5542,
ZINC95495973,
AKOS026673839,
V8145,
2-[(3-NITROPYRIDIN-4-YL)OXY]ETHAN-1-OL,
C7H8N2O4,
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| Complexity | 170 |
| 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 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.151g/mol |
| Monoisotopic Mass | 184.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number