| CAS Number | 1260658-97-6 |
| Catalog Number | AG01AJOA(AGN-PC-0WBD92) |
| Chemical Name | 2-[1-(propan-2-yl)-1H-pyrazol-3-yl]acetic acid |
| IUPAC Name | 2-(1-propan-2-ylpyrazol-3-yl)acetic acid |
| InChI | InChI=1S/C8H12N2O2/c1-6(2)10-4-3-7(9-10)5-8(11)12/h3-4,6H,5H2,1-2H3,(H,11,12) |
| InChI Key | ZFOZATJOXAYSNN-UHFFFAOYSA-N |
| MDL Number | MFCD18262425 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | CC(N1N=C(CC(O)=O)C=C1)C |
| Synonyms | 1260658-97-6,
2-[1-(propan-2-yl)-1H-pyrazol-3-yl]acetic acid,
(1-isopropyl-1H-pyrazol-3-yl)acetic acid,
MFCD18262425,
SBB073692,
STL415042,
ZINC68576250,
AKOS005169437,
MCULE-4034074582,
NE55329,
1-Isopropyl-1H-pyrazole-3-acetic Acid,
2-[1-(methylethyl)pyrazol-3-yl]acetic acid,
FT-0742350,
EN300-81549,
[1-(propan-2-yl)-1H-pyrazol-3-yl]acetic acid,
Z1270387208,
2-(1-isopropyl-1H-pyrazol-3-yl)acetic acid,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number