(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid - CAS 890092-87-2
Catalog: |
BB039323 |
Product Name: |
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid |
CAS: |
890092-87-2 |
Synonyms: |
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetic acid |
IUPAC Name: | 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetic acid |
Description: | (4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid (CAS# 890092-87-2) is a useful research chemical. |
Molecular Weight: | 196.20 |
Molecular Formula: | C9H12N2O3 |
Canonical SMILES: | CC1=C(C(=NN1CC(=O)O)C)C(=O)C |
InChI: | InChI=1S/C9H12N2O3/c1-5-9(7(3)12)6(2)11(10-5)4-8(13)14/h4H2,1-3H3,(H,13,14) |
InChI Key: | SOAAGCCBFNEUKR-UHFFFAOYSA-N |
Boiling Point: | 374.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.27 g/cm3 |
MDL: | MFCD07186496 |
LogP: | 0.78710 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.08479225 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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