| CAS Number | 1341353-18-1 |
| Catalog Number | AG01BUUL |
| Chemical Name | 4-(1-methyl-1H-pyrazol-5-yl)oxan-4-ol |
| IUPAC Name | 4-(2-methylpyrazol-3-yl)oxan-4-ol |
| InChI | InChI=1S/C9H14N2O2/c1-11-8(2-5-10-11)9(12)3-6-13-7-4-9/h2,5,12H,3-4,6-7H2,1H3 |
| InChI Key | RRFZNMWQMSNCNE-UHFFFAOYSA-N |
| MDL Number | MFCD19620485 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | CN1C(C2(CCOCC2)O)=CC=N1 |
| Synonyms | 4-(1-methyl-1H-pyrazol-5-yl)oxan-4-ol,
1341353-18-1,
ZINC69019136,
AKOS013276381,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.223g/mol |
| Monoisotopic Mass | 182.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number