2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic Acid - CAS 957023-29-9
Catalog: |
BB063099 |
Product Name: |
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic Acid |
CAS: |
957023-29-9 |
Synonyms: |
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid; (1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid; 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic Acid |
IUPAC Name: | 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid |
Description: | 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic Acid (cas# 957023-29-9) is a useful research chemical. |
Molecular Weight: | 210.27 |
Molecular Formula: | C11H18N2O2 |
Canonical SMILES: | CC1=C(C(=NN1CC(C)C)C)CC(=O)O |
InChI: | InChI=1S/C11H18N2O2/c1-7(2)6-13-9(4)10(5-11(14)15)8(3)12-13/h7H,5-6H2,1-4H3,(H,14,15) |
InChI Key: | QRVMFOVTGOXUCJ-UHFFFAOYSA-N |
Melting Point: | 110 - 112°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.136827821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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