| CAS Number | 162740-03-6 |
| Catalog Number | AG00AD2A(AGN-PC-0NABNJ) |
| Chemical Name | (2-Isopropyl-1,3-oxazol-4-yl)methanol |
| IUPAC Name | (2-propan-2-yl-1,3-oxazol-4-yl)methanol |
| InChI | InChI=1S/C7H11NO2/c1-5(2)7-8-6(3-9)4-10-7/h4-5,9H,3H2,1-2H3 |
| InChI Key | NCXGFKHNRCWGFO-UHFFFAOYSA-N |
| MDL Number | MFCD16556117 |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.1677 |
| SMILES | N1C(CO)=COC=1C(C)C |
| Synonyms | 162740-03-6,
(2-Isopropyl-1,3-oxazol-4-yl)methanol,
(2-Isopropyloxazol-4-yl)methanol,
SCHEMBL7335665,
DTXSID30444599,
MFCD16556117,
ZINC34448280,
AKOS006333599,
4-Oxazolemethanol, 2-(1-methylethyl)-,
AJ-88599,
[2-(propan-2-yl)-1,3-oxazol-4-yl]methanol,
Y-7668,
(2-isopropyl-1,3-oxazol-4-yl)methanol(SALTDATA,
CID10773074,
(2-propan-2-yl-1,3-oxazol-4-yl)methanol,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number