| CAS Number | 68809-64-3 |
| Catalog Number | AG0061AD(AGN-PC-03FLRV) |
| Chemical Name | ethyl 1,4-dimethyl-1H-pyrazole-5-carboxylate |
| IUPAC Name | ethyl 2,4-dimethylpyrazole-3-carboxylate |
| InChI | InChI=1S/C8H12N2O2/c1-4-12-8(11)7-6(2)5-9-10(7)3/h5H,4H2,1-3H3 |
| InChI Key | DXLLCQUNSCYBAB-UHFFFAOYSA-N |
| MDL Number | MFCD22581286 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | N1(C)C(C(OCC)=O)=C(C)C=N1 |
| Synonyms | Ethyl 1,4-dimethyl-1H-pyrazole-5-carboxylate,
68809-64-3,
SCHEMBL2521960,
CTK1J1730,
DTXSID30618011,
DXLLCQUNSCYBAB-UHFFFAOYSA-N,
MFCD22581286,
ZINC95830612,
AKOS022174771,
AJ-134751,
CS-0055082,
FT-0698840,
ST24046713,
1,4-Dimethyl-1H-pyrazole-5-carboxylic acid ethyl ester,
1H-Pyrazole-5-carboxylic acid, 1,4-dimethyl-, ethyl ester,
ACN-038587,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number