| CAS Number | 1049874-00-1 |
| Catalog Number | AG019MH3 |
| Chemical Name | N-({3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl}methylidene)hydroxylamine |
| IUPAC Name | (NE)-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methylidene]hydroxylamine |
| InChI | InChI=1S/C8H7N3O2/c1-5-7-2-6(4-10-12)3-9-8(7)13-11-5/h2-4,12H,1H3/b10-4+ |
| InChI Key | PCLLMIDSQFJYSA-ONNFQVAWSA-N |
| MDL Number | MFCD10686853 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | CC1C2=C(N=CC(=C2)C=NO)ON=1 |
| Synonyms | 3-methylisoxazolo[5,4-b]pyridine-5-carbaldehyde oxime,
1049874-00-1,
AC1Q2QBC,
EN300-36166,
N-({3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl}methylidene)hydroxylamine,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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