| CAS Number | 79302-77-5 |
| Catalog Number | AG00G8KP(AGN-PC-0WOJCE) |
| Chemical Name | 5-(3-Hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one |
| IUPAC Name | 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one |
| InChI | InChI=1S/C8H6N2O3/c11-6-3-1-2-5(4-6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12) |
| InChI Key | YGZLWIAYXICTBQ-UHFFFAOYSA-N |
| MDL Number | MFCD19673427 |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.1448 |
| SMILES | Oc1cccc(c1)c1n[nH]c(=O)o1 |
| Synonyms | 79302-77-5,
5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one,
5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2(3H)-one,
ODC100104,
ZINC70030768,
AKOS013514789,
DA-03261,
FT-0768640,
5-(3-hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.147g/mol |
| Monoisotopic Mass | 178.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number