| CAS Number | 120035-90-7 |
| Catalog Number | AG00HF8G(AGN-PC-0WNNJC) |
| Chemical Name | 5-(4-Hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one |
| IUPAC Name | 5-(4-hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one |
| InChI | InChI=1S/C8H6N2O3/c11-6-3-1-5(2-4-6)7-9-10-8(12)13-7/h1-4,11H,(H,10,12) |
| InChI Key | WAVMOUMHFJLVIA-UHFFFAOYSA-N |
| MDL Number | MFCD24716809 |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.1448 |
| NSC Number | 130850 |
| SMILES | Oc1ccc(cc1)c1n[nH]c(=O)o1 |
| Synonyms | 5-(4-Hydroxyphenyl)-3H-1,3,4-oxadiazol-2-one,
120035-90-7,
NSC130850,
AC1NTIT3,
ZINC1717613,
ODC100105,
AKOS026672497,
NSC-130850,
5-(4-hydroxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one,
5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3,4-oxadiazolidin-2-one,
CID5382007,
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| Complexity | 244 |
| 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 |
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Certificate of Analysis
Lot Number