| CAS Number | 885966-18-7 |
| Catalog Number | AG01EY7W(AGN-PC-3H48HD) |
| Chemical Name | 1,3-Phenylenediacetamidoxime |
| IUPAC Name | 2-[3-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-N'-hydroxyethanimidamide |
| InChI | InChI=1S/C10H14N4O2/c11-9(13-15)5-7-2-1-3-8(4-7)6-10(12)14-16/h1-4,15-16H,5-6H2,(H2,11,13)(H2,12,14) |
| InChI Key | ADKBSRANTRLSTM-UHFFFAOYSA-N |
| MDL Number | MFCD08705940 |
| Molecular Formula | C10H14N4O2 |
| Molecular Weight | 222.2438 |
| SMILES | C1=C(C/C(=N/O)/N)C=CC=C1C/C(=N/O)/N |
| Synonyms | 1,3-Phenylenediacetamidoxime,
885966-18-7,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 222.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.248g/mol |
| Monoisotopic Mass | 222.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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