| CAS Number | 1592408-08-6 |
| Catalog Number | AG01B8V0 |
| Chemical Name | 2-((1-Methyl-1H-pyrazol-4-yl)oxy)acetic acid |
| IUPAC Name | 2-(1-methylpyrazol-4-yl)oxyacetic acid |
| InChI | InChI=1S/C6H8N2O3/c1-8-3-5(2-7-8)11-4-6(9)10/h2-3H,4H2,1H3,(H,9,10) |
| InChI Key | HSPXGRVQHKQRIE-UHFFFAOYSA-N |
| MDL Number | MFCD26129300 |
| Molecular Formula | C6H8N2O3 |
| Molecular Weight | 156.1393 |
| SMILES | CN1N=CC(OCC(O)=O)=C1 |
| Synonyms | 1592408-08-6,
2-((1-Methyl-1H-pyrazol-4-yl)oxy)acetic acid,
2-[(1-methyl-1H-pyrazol-4-yl)oxy]acetic acid,
ZINC96510729,
(1-Methyl-1H-pyrazol-4-yloxy)-acetic acid,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.141g/mol |
| Monoisotopic Mass | 156.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number