| CAS Number | 1181471-99-7 |
| Catalog Number | AG019VKP(AGN-PC-0WOB0E) |
| Chemical Name | 2-(4-[(1E)-(Hydroxyimino)methyl]-3,5-dimethyl-1h-pyrazol-1-yl)acetic acid |
| IUPAC Name | 2-[4-(hydroxyiminomethyl)-3,5-dimethylpyrazol-1-yl]acetic acid |
| InChI | InChI=1S/C8H11N3O3/c1-5-7(3-9-14)6(2)11(10-5)4-8(12)13/h3,14H,4H2,1-2H3,(H,12,13) |
| InChI Key | KQSJTUXIXSKNNS-UHFFFAOYSA-N |
| MDL Number | MFCD12197221 |
| Molecular Formula | C8H11N3O3 |
| Molecular Weight | 197.1912 |
| SMILES | CC1C(C=NO)=C(C)N(CC(O)=O)N=1 |
| Synonyms | 2-{4-[(hydroxyimino)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetic acid,
1181471-99-7,
CTK7F2368,
CTK8F3981,
ZINC388280005,
MCULE-9533711305,
Z594413676,
2-{4-[(1E)-(hydroxyimino)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}acetic acid,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.194g/mol |
| Monoisotopic Mass | 197.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number