| CAS Number | 63016-87-5 |
| Catalog Number | AG00F5NH(AGN-PC-0LT1XG) |
| Chemical Name | methyl 2-[2-(N-hydroxyimino)acetamido]benzoate |
| IUPAC Name | methyl 2-[(2-hydroxyiminoacetyl)amino]benzoate |
| InChI | InChI=1S/C10H10N2O4/c1-16-10(14)7-4-2-3-5-8(7)12-9(13)6-11-15/h2-6,15H,1H3,(H,12,13) |
| InChI Key | QAVYRCRPJGELDP-UHFFFAOYSA-N |
| MDL Number | MFCD01566540 |
| Molecular Formula | C10H10N2O4 |
| Molecular Weight | 222.1974 |
| SMILES | COC(C1=C(NC(C=NO)=O)C=CC=C1)=O |
| Synonyms | 63016-87-5,
Benzoic acid,2-[[2-(hydroxyimino)acetyl]amino]-, methyl ester,
Methyl 2-(2-(hydroxyimino)acetamido)benzoate,
Methyl 2-[2-(hydroxyimino)acetamido]benzoate,
AC1O8KAU,
Maybridge3_004116,
Oprea1_554541,
CTK5B7087,
DTXSID10425129,
HMS2350A10,
AKOS030229647,
MCULE-2225410951,
methyl 2-[(2-hydroxyiminoacetyl)amino]benzoate,
methyl 2-[2-(N-hydroxyimino)acetamido]benzoate,
Z56943574,
ZINC00171256,
CID6710881,
methyl 2-{[(2E)-2-(hydroxyimino)ethanoyl]amino}benzoate,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.2g/mol |
| Monoisotopic Mass | 222.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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