Methyl (3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)acetate - CAS 2101197-93-5
Catalog: |
BB051316 |
Product Name: |
Methyl (3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)acetate |
CAS: |
2101197-93-5 |
Synonyms: |
1H-Pyrazole-5-acetic acid, 3-cyclopropyl-1-methyl-, methyl ester |
IUPAC Name: | methyl 2-(5-cyclopropyl-2-methylpyrazol-3-yl)acetate |
Molecular Weight: | 194.23 |
Molecular Formula: | C10H14N2O2 |
Canonical SMILES: | CN1C(=CC(=N1)C2CC2)CC(=O)OC |
InChI: | InChI=1S/C10H14N2O2/c1-12-8(6-10(13)14-2)5-9(11-12)7-3-4-7/h5,7H,3-4,6H2,1-2H3 |
InChI Key: | FAVJGDOPAUYSNC-UHFFFAOYSA-N |
Boiling Point: | 308.2±27.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.26±0.1 g/cm3 (Predicted) |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.105527694 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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