| CAS Number | 1341513-43-6 |
| Catalog Number | AG01A3M8(AGN-PC-0WO3LQ) |
| Chemical Name | 3-methyl-1-(tetrahydrofuran-3-yl)-1h-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-methyl-1-(oxolan-3-yl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H12N2O3/c1-6-8(9(12)13)4-11(10-6)7-2-3-14-5-7/h4,7H,2-3,5H2,1H3,(H,12,13) |
| InChI Key | IDIIPFGIBWQHHX-UHFFFAOYSA-N |
| MDL Number | MFCD20330738 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | CC1C(C(O)=O)=CN(C2COCC2)N=1 |
| Synonyms | 1341513-43-6,
3-methyl-1-(oxolan-3-yl)-1H-pyrazole-4-carboxylic acid,
3-Methyl-1-(tetrahydrofuran-3-yl)-1H-pyrazole-4-carboxylic acid,
MFCD20330738,
AKOS013771503,
MCULE-7222101469,
NE57890,
AS-35537,
Z1695906701,
|
| Complexity | 234 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number