| CAS Number | 61428-20-4 |
| Catalog Number | AG00EFZD(AGN-PC-0NIFXJ) |
| Chemical Name | 3-(4-Methoxyphenyl)isoxazole |
| IUPAC Name | 3-(4-methoxyphenyl)-1,2-oxazole |
| InChI | InChI=1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-7-13-11-10/h2-7H,1H3 |
| InChI Key | CWVBMOWWQXBIBL-UHFFFAOYSA-N |
| MDL Number | MFCD08446386 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | C1ON=C(C2=CC=C(OC)C=C2)C=1 |
| Synonyms | 3-(4-Methoxyphenyl)isoxazole,
61428-20-4,
Isoxazole, 3-(4-methoxyphenyl)-,
SCHEMBL17644086,
CTK2E0197,
KS-00003KMZ,
DTXSID90485741,
3-(4-methoxyphenyl)-1,2-oxazole,
5203AH,
MFCD08446386,
ZINC15442914,
AKOS006288430,
FS-2081,
3-(4-Methoxyphenyl)isoxazole, AldrichCPR,
DB-004098,
FT-0711198,
A-7484,
C10H9NO2,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.187g/mol |
| Monoisotopic Mass | 175.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number