| CAS Number | 1007541-96-9 |
| Catalog Number | AG019UCL(AGN-PC-0WO9GY) |
| Chemical Name | 5-Ethyl-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-ethyl-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C7H10N2O2/c1-3-6-5(7(10)11)4-8-9(6)2/h4H,3H2,1-2H3,(H,10,11) |
| InChI Key | ODCIFLVGQRRDGE-UHFFFAOYSA-N |
| MDL Number | MFCD08700652 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | CCC1N(C)N=CC=1C(O)=O |
| Synonyms | 5-ethyl-1-methyl-1H-pyrazole-4-carboxylic acid,
1007541-96-9,
AC1Q2SUH,
SCHEMBL4757065,
CTK6D2556,
ZINC21518434,
AKOS003673002,
MCULE-4634120150,
NE60067,
5-ethyl-1-methylpyrazole-4-carboxylic acid,
EN300-41251,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/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