| CAS Number | 873537-59-8 |
| Catalog Number | AG01EH90(AGN-PC-0DUYO1) |
| Chemical Name | 1-(2-Methyl-4-nitrophenyl)piperidin-4-ol |
| IUPAC Name | 1-(2-methyl-4-nitrophenyl)piperidin-4-ol |
| InChI | InChI=1S/C12H16N2O3/c1-9-8-10(14(16)17)2-3-12(9)13-6-4-11(15)5-7-13/h2-3,8,11,15H,4-7H2,1H3 |
| InChI Key | LWUVIGLCSMWESU-UHFFFAOYSA-N |
| MDL Number | MFCD11039628 |
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.2670 |
| SMILES | OC1CCN(CC1)c1ccc(cc1C)[N+](=O)[O-] |
| Synonyms | 1-(2-Methyl-4-nitrophenyl)-4-piperidinol,
873537-59-8,
1-(2-MEthyl-4-nitrophenyl)piperidin-4-ol,
SCHEMBL855387,
LWUVIGLCSMWESU-UHFFFAOYSA-N,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.271g/mol |
| Monoisotopic Mass | 236.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number