| CAS Number | 1424188-16-8 |
| Catalog Number | AG01A3PA(AGN-PC-0WO63J) |
| Chemical Name | 5-Methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-1-(oxan-4-yl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H14N2O3/c1-7-9(10(13)14)6-11-12(7)8-2-4-15-5-3-8/h6,8H,2-5H2,1H3,(H,13,14) |
| InChI Key | KURHRJDWCKRYDJ-UHFFFAOYSA-N |
| MDL Number | MFCD23144052 |
| Molecular Formula | C10H14N2O3 |
| Molecular Weight | 210.2298 |
| SMILES | CC1N(C2CCOCC2)N=CC=1C(O)=O |
| Synonyms | 5-methyl-1-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid,
1424188-16-8,
5-Methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid,
ZINC88613678,
AKOS026728081,
MCULE-4298219348,
NE40960,
Z1552027084,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.233g/mol |
| Monoisotopic Mass | 210.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number