| CAS Number | 1340372-11-3 |
| Catalog Number | AG009K0N(AGN-PC-0BEPDZ) |
| Chemical Name | 1-(Tetrahydro-pyran-4-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(oxan-4-yl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H12N2O3/c12-9(13)7-5-10-11(6-7)8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,12,13) |
| InChI Key | OTFVSCLQHTZDFX-UHFFFAOYSA-N |
| MDL Number | MFCD19611565 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | O=C(C1=CN(C2CCOCC2)N=C1)O |
| Synonyms | 1340372-11-3,
1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid,
1-(Tetrahydro-pyran-4-yl)-1H-pyrazole-4-carboxylic acid,
1-(Oxan-4-yl)-1H-pyrazole-4-carboxylic acid,
1-(Tetrahydropyran-4-yl)-1H-pyrazole-4-carboxylic acid,
9535AH,
ZINC68955588,
AKOS013250701,
NE64069,
AS-35536,
DA-19671,
SC-52352,
FT-0703962,
1-(Tetrahydropyran-4-yl)-1H-pyrazole-4-carboxylic,
F2147-3678,
C9H12N2O3,
ACN-045281,
AJ-117176,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.084792g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.2g/mol |
| Monoisotopic Mass | 196.084792g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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