| CAS Number | 1402411-46-4 |
| Catalog Number | AG01B5EV |
| Chemical Name | 2-(4-Cyclopropyl-1H-pyrazol-1-yl)acetic acid |
| IUPAC Name | 2-(4-cyclopropylpyrazol-1-yl)acetic acid |
| InChI | InChI=1S/C8H10N2O2/c11-8(12)5-10-4-7(3-9-10)6-1-2-6/h3-4,6H,1-2,5H2,(H,11,12) |
| InChI Key | PKXUQTSIMIWFRQ-UHFFFAOYSA-N |
| MDL Number | MFCD24503621 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | O=C(O)CN1N=CC(C2CC2)=C1 |
| Synonyms | 2-(4-Cyclopropyl-1H-pyrazol-1-yl)acetic acid,
1402411-46-4,
SCHEMBL12984723,
PKXUQTSIMIWFRQ-UHFFFAOYSA-N,
MFCD24503621,
AKOS024161397,
ZINC221200642,
AS-43170,
(4-Cyclopropyl-pyrazol-1-yl)-acetic acid,
(4-Cyclopropyl-1H-pyrazol-1-yl)acetic acid,
Z2522871853,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number