| CAS Number | 1823269-38-0 |
| Catalog Number | AG01C160 |
| Chemical Name | 3,5-dimethyl-1-(oxan-2-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3,5-dimethyl-1-(oxan-2-yl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H16N2O3/c1-7-10(11(14)15)8(2)13(12-7)9-5-3-4-6-16-9/h9H,3-6H2,1-2H3,(H,14,15) |
| InChI Key | USWARDWJLFRKLM-UHFFFAOYSA-N |
| MDL Number | MFCD26518533 |
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.2563 |
| SMILES | CC1C(C(O)=O)=C(C)N(C2OCCCC2)N=1 |
| Synonyms | 3,5-dimethyl-1-(oxan-2-yl)-1H-pyrazole-4-carboxylic acid,
1823269-38-0,
AKOS033788832,
Z2181967028,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.26g/mol |
| Monoisotopic Mass | 224.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number