| CAS Number | 1211131-67-7 |
| Catalog Number | AG008VNG(AGN-PC-0WB3LM) |
| Chemical Name | (5-Isopropyl-1,3,4-oxadiazol-2-YL)methanol |
| IUPAC Name | (5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanol |
| InChI | InChI=1S/C6H10N2O2/c1-4(2)6-8-7-5(3-9)10-6/h4,9H,3H2,1-2H3 |
| InChI Key | RXTQZBAFYARQJE-UHFFFAOYSA-N |
| MDL Number | MFCD13188553 |
| Molecular Formula | C6H10N2O2 |
| Molecular Weight | 142.1558 |
| SMILES | N1N=C(OC=1C(C)C)CO |
| Synonyms | 1211131-67-7,
(5-ISOPROPYL-1,3,4-OXADIAZOL-2-YL)METHANOL,
[5-(Propan-2-yl)-1,3,4-oxadiazol-2-yl]methanol,
SCHEMBL13856441,
DTXSID50672413,
MFCD13188553,
ZINC42383616,
AKOS006333540,
AJ-104249,
Y-7343,
(5-isopropyl-1,3,4-oxadiazol-2-yl)methanol(SALTDATA,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.158g/mol |
| Monoisotopic Mass | 142.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number