| CAS Number | 2059955-88-1 |
| Catalog Number | AG01C0DY |
| Chemical Name | tert-butyl N-[6-(hydroxymethyl)pyridazin-3-yl]carbamate |
| IUPAC Name | tert-butyl N-[6-(hydroxymethyl)pyridazin-3-yl]carbamate |
| InChI | InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)11-8-5-4-7(6-14)12-13-8/h4-5,14H,6H2,1-3H3,(H,11,13,15) |
| InChI Key | YQEMWTZLMFJDLC-UHFFFAOYSA-N |
| MDL Number | MFCD30497957 |
| Molecular Formula | C10H15N3O3 |
| Molecular Weight | 225.2444 |
| SMILES | CC(OC(NC1=NN=C(CO)C=C1)=O)(C)C |
| Synonyms | 2059955-88-1,
tert-Butyl (6-(hydroxymethyl)pyridazin-3-yl)carbamate,
tert-butyl N-[6-(hydroxymethyl)pyridazin-3-yl]carbamate,
AKOS033995560,
ZINC536952427,
Z2719326792,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.248g/mol |
| Monoisotopic Mass | 225.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number