| CAS Number | 1375476-96-2 |
| Catalog Number | AG019TFD |
| Chemical Name | Methyl 3-[(N'-hydroxycarbamimidoyl)methoxy]benzoate |
| IUPAC Name | methyl 3-(2-amino-2-hydroxyiminoethoxy)benzoate |
| InChI | InChI=1S/C10H12N2O4/c1-15-10(13)7-3-2-4-8(5-7)16-6-9(11)12-14/h2-5,14H,6H2,1H3,(H2,11,12) |
| InChI Key | CGTSZVVTHFOZDZ-UHFFFAOYSA-N |
| MDL Number | MFCD21602611 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | COC(C1=CC(OCC(N)=NO)=CC=C1)=O |
| Synonyms | 1375476-96-2,
methyl 3-[(N'-hydroxycarbamimidoyl)methoxy]benzoate,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 94.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number