| CAS Number | 1497772-92-5 |
| Catalog Number | AG01BGIL(AGN-PC-0WORJE) |
| Chemical Name | 1-(Cyclopropylmethyl)-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 2-(cyclopropylmethyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c11-8(12)7-3-4-9-10(7)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,11,12) |
| InChI Key | VRQLNWZTZICXMQ-UHFFFAOYSA-N |
| MDL Number | MFCD21106666 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | C(=O)(c1n(ncc1)CC1CC1)O |
| Synonyms | 1-(cyclopropylmethyl)-1H-pyrazole-5-carboxylic acid,
1497772-92-5,
SCHEMBL17437948,
ZINC80051031,
AKOS013772027,
Z2510258142,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number