| CAS Number | 1071814-44-2 |
| Catalog Number | AG0096IG(AGN-PC-0WBD3U) |
| Chemical Name | 2-(1-Methyl-1H-pyrazol-5-yl)acetic acid |
| IUPAC Name | 2-(2-methylpyrazol-3-yl)acetic acid |
| InChI | InChI=1S/C6H8N2O2/c1-8-5(2-3-7-8)4-6(9)10/h2-3H,4H2,1H3,(H,9,10) |
| InChI Key | BUEJONJMFDVIMZ-UHFFFAOYSA-N |
| MDL Number | MFCD18262290 |
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.1399 |
| SMILES | CN1C(=CC=N1)CC(=O)O |
| Synonyms | 2-(1-methyl-1H-pyrazol-5-yl)acetic acid,
1071814-44-2,
(1-methyl-1H-pyrazol-5-yl)acetic acid,
2-(1-methylpyrazol-5-yl)acetic acid,
SCHEMBL2774684,
BUEJONJMFDVIMZ-UHFFFAOYSA-N,
ALBB-032465,
MFCD18262290,
SBB073468,
STL414912,
ZINC69021240,
AKOS005169591,
MCULE-6636681023,
NE25690,
SB12476,
AS-40918,
ST45255686,
EN300-92474,
Z1874937351,
2-(1-methyl-1H-pyrazol-5-yl)acetic acid, 95% - 1G 1g,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.142g/mol |
| Monoisotopic Mass | 140.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number