| CAS Number | 1159251-58-7 |
| Catalog Number | AG00HD4E(AGN-PC-0WG4CG) |
| Chemical Name | (5-Methyl-3-(pyridin-4-yl)isoxazol-4-yl)methanol |
| IUPAC Name | (5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methanol |
| InChI | InChI=1S/C10H10N2O2/c1-7-9(6-13)10(12-14-7)8-2-4-11-5-3-8/h2-5,13H,6H2,1H3 |
| InChI Key | AQLRXBPPMKBVAL-UHFFFAOYSA-N |
| MDL Number | MFCD19348058 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.1986 |
| SMILES | Cc1onc(c1CO)-c1ccncc1 |
| Synonyms | (5-Methyl-3-(pyridin-4-yl)isoxazol-4-yl)methanol,
1159251-58-7,
(5-Methyl-3-pyridin-4-yl-isoxazol-4-yl)-methanol,
SCHEMBL1777617,
AQLRXBPPMKBVAL-UHFFFAOYSA-N,
MFCD19348058,
ZINC58521194,
AKOS022358891,
[5-METHYL-3-(PYRIDIN-4-YL)-1,2-OXAZOL-4-YL]METHANOL,
1159600-98-2,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.202g/mol |
| Monoisotopic Mass | 190.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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