| CAS Number | 1152555-04-8 |
| Catalog Number | AG01935K(AGN-PC-0WBPZA) |
| Chemical Name | 1-(2-hydroxyethyl)-5-propyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2-hydroxyethyl)-5-propylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H14N2O3/c1-2-3-8-7(9(13)14)6-10-11(8)4-5-12/h6,12H,2-5H2,1H3,(H,13,14) |
| InChI Key | JRXZGZBNTANNND-UHFFFAOYSA-N |
| MDL Number | MFCD11119224 |
| Molecular Formula | C9H14N2O3 |
| Molecular Weight | 198.2191 |
| SMILES | CCCC1N(CCO)N=CC=1C(O)=O |
| Synonyms | 1-(2-hydroxyethyl)-5-propyl-1H-pyrazole-4-carboxylic acid,
1152555-04-8,
AC1Q2US7,
CTK6D4970,
ZINC20566508,
AKOS009228301,
MCULE-4471778209,
EN300-40224,
L-4254,
AB01002445-01,
1-(2-hydroxyethyl)-5-propylpyrazole-4-carboxylic acid,
F2192-0015,
Z234969355,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.222g/mol |
| Monoisotopic Mass | 198.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number