| CAS Number | 1357353-48-0 |
| Catalog Number | AG01C4BV |
| Chemical Name | 2-(1-methyl-1h-pyrazol-3-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c1-8-3-2-5(7-8)4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);1H |
| InChI Key | RPSOFEHSLGVHTF-UHFFFAOYSA-N |
| MDL Number | MFCD22209866 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | Cl.OC(=O)CC1=NN(C)C=C1 |
| Synonyms | 2-(1-methyl-1H-pyrazol-3-yl)acetic acid hydrochloride,
1357353-48-0,
AKOS026726157,
AM806204,
F8880-9086,
(1-methyl-1H-pyrazol-3-yl)acetic acid,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.035255g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035255g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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