Pyrazole-5-acetic Acid Hydrochloride - CAS 118054-57-2
Catalog: |
BB004045 |
Product Name: |
Pyrazole-5-acetic Acid Hydrochloride |
CAS: |
118054-57-2 |
Synonyms: |
2-(1H-pyrazol-5-yl)acetic acid;hydrochloride; 2-(1H-pyrazol-5-yl)acetic acid;hydrochloride |
IUPAC Name: | 2-(1H-pyrazol-5-yl)acetic acid;hydrochloride |
Description: | Pyrazole-5-acetic Acid Hydrochloride (CAS# 118054-57-2 ) is a useful research chemical. |
Molecular Weight: | 162.57 |
Molecular Formula: | C5H7ClN2O2 |
Canonical SMILES: | C1=C(NN=C1)CC(=O)O.Cl |
InChI: | InChI=1S/C5H6N2O2.ClH/c8-5(9)3-4-1-2-6-7-4;/h1-2H,3H2,(H,6,7)(H,8,9);1H |
InChI Key: | FQUYXVPCCKSSLU-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 0.83880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111925756-A | Initiator composition for anaerobic adhesive, anaerobic adhesive and preparation method thereof | 20190513 |
BR-112019012264-A2 | imidazopyrrolopyridine as inhibitors of the jak family of kinases | 20161216 |
CA-3047311-A1 | Imidazopyrrolopyridine as inhibitors of the jak family of kinases | 20161216 |
JP-2020502141-A | Imidazopyrrolopyridines as inhibitors of JAK family kinases | 20161216 |
KR-20190092560-A | Imidazopyrrolopyridine as Inhibitor of Kinase of JAK Family | 20161216 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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