| CAS Number | 679436-55-6 |
| Catalog Number | AG00FRZE(AGN-PC-0NGODX) |
| Chemical Name | 5-(Carboxymethoxy)-1-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C7H8N2O5/c1-9-5(14-3-6(10)11)2-4(8-9)7(12)13/h2H,3H2,1H3,(H,10,11)(H,12,13) |
| InChI Key | ZYCGTVOODHZVAB-UHFFFAOYSA-N |
| MDL Number | MFCD18809602 |
| Molecular Formula | C7H8N2O5 |
| Molecular Weight | 200.1488 |
| SMILES | CN1C(OCC(O)=O)=CC(C(O)=O)=N1 |
| Synonyms | 679436-55-6,
5-(Carboxymethoxy)-1-methyl-1H-pyrazole-3-carboxylic acid,
SCHEMBL4757956,
ZINC38301922,
AS-71394,
TZ000986,
CS-0036979,
1H-Pyrazole-3-carboxylicacid,5-(carboxymethoxy)-1-methyl-(9CI),
CID11148327,
5-(carboxymethoxy)-1-methyl-pyrazole-3-carboxylic Acid,
1H-Pyrazole-3-carboxylic acid, 5-(carboxymethoxy)-1-methyl- (9CI),
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.043321g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.15g/mol |
| Monoisotopic Mass | 200.043321g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 102Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number