| CAS Number | 113100-65-5 |
| Catalog Number | AG01ANEC(AGN-PC-0012Q6) |
| Chemical Name | 5-Methoxy-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-methoxy-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C6H8N2O3/c1-8-5(11-2)4(3-7-8)6(9)10/h3H,1-2H3,(H,9,10) |
| InChI Key | KSQUPSFMOIOYDF-UHFFFAOYSA-N |
| MDL Number | MFCD20658285 |
| Molecular Formula | C6H8N2O3 |
| Molecular Weight | 156.1393 |
| SMILES | COC1=C(C=NN1C)C(=O)O |
| Synonyms | 5-Methoxy-1-methyl-1H-pyrazole-4-carboxylic acid,
113100-65-5,
SCHEMBL8307379,
KSQUPSFMOIOYDF-UHFFFAOYSA-N,
ZINC34274867,
AKOS022905544,
1-methyl-5-methoxypyrazole-4-carboxylic acid,
1H-Pyrazole-4-carboxylic acid, 5-methoxy-1-methyl-,
Z2309759496,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.141g/mol |
| Monoisotopic Mass | 156.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number