| CAS Number | 1349718-35-9 |
| Catalog Number | AG00HTTL(AGN-PC-0WCKN9) |
| Chemical Name | 1-Cyclobutyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-cyclobutylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c11-8(12)6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2,(H,11,12) |
| InChI Key | YDPDUABHUDEMLW-UHFFFAOYSA-N |
| MDL Number | MFCD20233278 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | OC(C1=CN(C2CCC2)N=C1)=O |
| Synonyms | 1-Cyclobutyl-1H-pyrazole-4-carboxylic acid,
1349718-35-9,
SCHEMBL4720240,
ZX-RL005343,
MFCD20233278,
ZINC71792110,
AKOS023623127,
FCH1416385,
SB11838,
AS-51453,
OR306188,
CS-0055583,
F2147-6792,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number