| CAS Number | 1429129-68-9 |
| Catalog Number | AG01E22H(AGN-PC-0WP08J) |
| Chemical Name | OXFBD02 |
| IUPAC Name | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(phenyl)methyl]phenol |
| InChI | InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3 |
| InChI Key | FEQUIPXIENTMJN-UHFFFAOYSA-N |
| MDL Number | MFCD28166483 |
| Molecular Formula | C18H17NO3 |
| Molecular Weight | 295.3325 |
| SMILES | CC1=NOC(=C1C=1C=C(C=C(C1)C(C1=CC=CC=C1)O)O)C |
| Synonyms | OXF BD 02,
1429129-68-9,
3-(3,5-Dimethylisoxazol-4-yl)-5-(hydroxy(phenyl)methyl)phenol,
3-(3,5-Dimethyl-4-isoxazolyl)-5-hydroxy-alpha-phenyl-benzenemethanol,
CHEMBL2335143,
SCHEMBL16731354,
AKOS025142030,
NCGC00387213-01,
3-(3,5-Dimethyl-4-isoxazolyl)-5-hydroxy-?-phenylbenzenemethanol,
FEQUIPXIENTMJN-UHFFFAOYSA-N,
B4918,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.338g/mol |
| Monoisotopic Mass | 295.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number