3-(1-Methyl-1H-pyrazol-5-yl)propanoic acid - CAS 796845-50-6
Catalog: |
BB048543 |
Product Name: |
3-(1-Methyl-1H-pyrazol-5-yl)propanoic acid |
CAS: |
796845-50-6 |
Synonyms: |
3-(2-Methyl-2H-pyrazol-3-yl)-propionic acid; 1H-Pyrazole-5-propanoic acid, 1-methyl-; 3-(1-methylpyrazol-5-yl)propanoic acid |
IUPAC Name: | 3-(2-methylpyrazol-3-yl)propanoic acid |
Description: | 3-(1-Methyl-1H-pyrazol-5-yl)propanoic acid (CAS# 796845-50-6 ) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CN1C(=CC=N1)CCC(=O)O |
InChI: | InChI=1S/C7H10N2O2/c1-9-6(4-5-8-9)2-3-7(10)11/h4-5H,2-3H2,1H3,(H,10,11) |
InChI Key: | BNIMNWBBWQHMIM-UHFFFAOYSA-N |
Boiling Point: | 315.0±17.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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