2-(3,5-Dimethyl-1H-pyrazol-1-yl)propanoic acid - CAS 956508-33-1
Catalog: |
BB052931 |
Product Name: |
2-(3,5-Dimethyl-1H-pyrazol-1-yl)propanoic acid |
CAS: |
956508-33-1 |
Synonyms: |
2-(3,5-Dimethyl-pyrazol-1-yl)-propionic acid; 2-(3,5-dimethylpyrazolyl)propanoic acid |
IUPAC Name: | 2-(3,5-dimethylpyrazol-1-yl)propanoic acid |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CC1=CC(=NN1C(C)C(=O)O)C |
InChI: | InChI=1S/C8H12N2O2/c1-5-4-6(2)10(9-5)7(3)8(11)12/h4,7H,1-3H3,(H,11,12) |
InChI Key: | VLJUREBBXZBMFQ-UHFFFAOYSA-N |
Purity: | 95% |
Appearance: | Solid |
Complexity: | 184 |
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: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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