| CAS Number | 121604-45-3 |
| Catalog Number | AG009DR6(AGN-PC-0WB5U2) |
| Chemical Name | (3-CYCLOPROPYL-5-ISOXAZOLYL)METHANOL |
| IUPAC Name | (3-cyclopropyl-1,2-oxazol-5-yl)methanol |
| InChI | InChI=1S/C7H9NO2/c9-4-6-3-7(8-10-6)5-1-2-5/h3,5,9H,1-2,4H2 |
| InChI Key | JSAGCRJDUAYEFD-UHFFFAOYSA-N |
| MDL Number | MFCD16556130 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | OCc1onc(c1)C1CC1 |
| Synonyms | 121604-45-3,
(3-Cyclopropylisoxazol-5-yl)methanol,
(3-Cyclopropyl-5-isoxazolyl)methanol,
(3-cyclopropyl-1,2-oxazol-5-yl)methanol,
(3-cyclopropylisoxazol-5-yl)methan-1-ol,
SCHEMBL9629417,
MFCD16556130,
SBB073569,
ZINC49584932,
AKOS005169499,
MCULE-1651976111,
AJ-111193,
ST45255927,
(3-cyclopropyl-5-isoxazolyl)methanol(SALTDATA,
Y-7681,
F8883-6157,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number