| CAS Number | 1803593-57-8 |
| Catalog Number | AG01B8MP |
| Chemical Name | 2-[(1-Methyl-1H-pyrazol-4-yl)oxy]acetic acid hydrochloride |
| IUPAC Name | 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O3.ClH/c1-8-3-5(2-7-8)11-4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);1H |
| InChI Key | BQMBKERSGINMOJ-UHFFFAOYSA-N |
| MDL Number | MFCD28246568 |
| Molecular Formula | C6H9ClN2O3 |
| Molecular Weight | 192.6003 |
| SMILES | Cl.CN1N=CC(OCC(O)=O)=C1 |
| Synonyms | 2-[(1-methyl-1H-pyrazol-4-yl)oxy]acetic acid hydrochloride,
1803593-57-8,
Z2009851246,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.599g/mol |
| Monoisotopic Mass | 192.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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