(3-Cyclopropyl-1-methyl-1H-pyrazol-5-yl)acetic acid - CAS 1260659-21-9
Catalog: |
BB051873 |
Product Name: |
(3-Cyclopropyl-1-methyl-1H-pyrazol-5-yl)acetic acid |
CAS: |
1260659-21-9 |
Synonyms: |
2-(3-Cyclopropyl-1-methyl-1H-pyrazol-5-yl)acetic acid |
IUPAC Name: | 2-(5-cyclopropyl-2-methylpyrazol-3-yl)acetic acid |
Molecular Weight: | 180.20 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | CN1C(=CC(=N1)C2CC2)CC(=O)O |
InChI: | InChI=1S/C9H12N2O2/c1-11-7(5-9(12)13)4-8(10-11)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,12,13) |
InChI Key: | UYPLEXRAASOZFR-UHFFFAOYSA-N |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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