| CAS Number | 1784319-55-6 |
| Catalog Number | AG01B76J |
| Chemical Name | 1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 2-(oxan-4-yl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13) |
| InChI Key | CXJSIUBTTAXWQT-UHFFFAOYSA-N |
| MDL Number | MFCD30345009 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | O=C(C1=CC=NN1C2CCOCC2)O |
| Synonyms | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid,
1784319-55-6,
AKOS024163452,
ZINC221435259,
Z2588063750,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.206g/mol |
| Monoisotopic Mass | 196.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number