| CAS Number | 113100-49-5 |
| Catalog Number | AG00928D(AGN-PC-000X8T) |
| Chemical Name | 3-ethyl-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-ethyl-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C7H10N2O2/c1-3-6-5(7(10)11)4-9(2)8-6/h4H,3H2,1-2H3,(H,10,11) |
| InChI Key | BOQSSGWSBMZZBI-UHFFFAOYSA-N |
| MDL Number | MFCD08700651 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | O=C(C1=CN(C)N=C1CC)O |
| Synonyms | 3-ethyl-1-methyl-1H-pyrazole-4-carboxylic acid,
113100-49-5,
AKOS PAO-0332,
SCHEMBL7318932,
MFCD08700651,
ZINC26461596,
AKOS003673001,
MCULE-6885485073,
NE31325,
AS-40863,
|
| 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