2-(4-Methyl-1H-Pyrazol-1-Yl)Butanoic Acid - CAS 1172375-78-8
Catalog: |
BB052817 |
Product Name: |
2-(4-Methyl-1H-Pyrazol-1-Yl)Butanoic Acid |
CAS: |
1172375-78-8 |
Synonyms: |
2-(4-methyl-1H-pyrazol-1-yl)butanoicacid |
IUPAC Name: | 2-(4-methylpyrazol-1-yl)butanoic acid |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CCC(C(=O)O)N1C=C(C=N1)C |
InChI: | InChI=1S/C8H12N2O2/c1-3-7(8(11)12)10-5-6(2)4-9-10/h4-5,7H,3H2,1-2H3,(H,11,12) |
InChI Key: | WVHMKGAITREJPV-UHFFFAOYSA-N |
Boiling Point: | 310.0±25.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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