| CAS Number | 960061-50-1 |
| Catalog Number | AG019RKO(AGN-PC-0WOAB1) |
| Chemical Name | 2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid |
| IUPAC Name | 2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C9H14N2O2/c1-3-7-6(5-9(12)13)8(4-2)11-10-7/h3-5H2,1-2H3,(H,10,11)(H,12,13) |
| InChI Key | LVANOEHYTRYLNT-UHFFFAOYSA-N |
| MDL Number | MFCD17977233 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | CCC1C(CC(O)=O)=C(CC)NN=1 |
| Synonyms | 2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid,
960061-50-1,
EN300-89893,
AC1Q2U8T,
SCHEMBL3402262,
LVANOEHYTRYLNT-UHFFFAOYSA-N,
ZINC57219266,
AKOS017381717,
BBV-39695221,
(3,5-diethyl-1H-pyrazol-4-yl)acetic acid,
1H-Pyrazole-4-acetic acid, 3,5-diethyl-,
FT-0710032,
3,5-diethyl-1H-Pyrazole-4-acetic acid,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.223g/mol |
| Monoisotopic Mass | 182.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number