| CAS Number | 1423026-22-5 |
| Catalog Number | AG01A35P(AGN-PC-0WO440) |
| Chemical Name | 2-(1,3-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C7H10N2O3.ClH/c1-4-5(3-6(10)11)7(12)9(2)8-4;/h5H,3H2,1-2H3,(H,10,11);1H |
| InChI Key | QMDCTRATYQYOBE-UHFFFAOYSA-N |
| MDL Number | MFCD22628514 |
| Molecular Formula | C7H11ClN2O3 |
| Molecular Weight | 206.6268 |
| SMILES | Cl.CN1C(=O)C(CC(O)=O)C(C)=N1 |
| Synonyms | 2-(1,3-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetic acid hydrochloride,
1423026-22-5,
AKOS026727425,
NE17608,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.626g/mol |
| Monoisotopic Mass | 206.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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