| CAS Number | 73217-37-5 |
| Catalog Number | AG01A8OJ(AGN-PC-0KK1OG) |
| Chemical Name | (5-Phenyl-1,2,4-oxadiazol-3-yl)methanol |
| IUPAC Name | (5-phenyl-1,2,4-oxadiazol-3-yl)methanol |
| InChI | InChI=1S/C9H8N2O2/c12-6-8-10-9(13-11-8)7-4-2-1-3-5-7/h1-5,12H,6H2 |
| InChI Key | BOEQMFXGWDOSMJ-UHFFFAOYSA-N |
| MDL Number | MFCD04111153 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | OCC1=NOC(C2=CC=CC=C2)=N1 |
| Synonyms | (5-phenyl-1,2,4-oxadiazol-3-yl)methanol,
73217-37-5,
AC1MBJOB,
1,2,4-Oxadiazole-3-methanol, 5-phenyl-,
AC1Q7C5H,
SCHEMBL4865565,
ZINC76767,
CCG-45721,
AKOS009591956,
MCULE-9759366563,
NE23682,
EN300-62179,
SR-01000635472-1,
ZINC00076767,
CID2726650,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number