| CAS Number | 1343835-81-3 |
| Catalog Number | AG00HTB6 |
| Chemical Name | 1-(Tetrahydrofuran-3-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(oxolan-3-yl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C8H10N2O3/c11-8(12)6-3-9-10(4-6)7-1-2-13-5-7/h3-4,7H,1-2,5H2,(H,11,12) |
| InChI Key | WJXIQEUPGKJLSQ-UHFFFAOYSA-N |
| MDL Number | MFCD19611395 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | O1CC(CC1)N1N=CC(=C1)C(=O)O |
| Synonyms | 1-(Tetrahydrofuran-3-yl)-1H-pyrazole-4-carboxylic acid,
1343835-81-3,
SCHEMBL12803551,
AKOS013250860,
1-(oxolan-3-yl)-1H-pyrazole-4-carboxylic acid,
F2147-3679,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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