| CAS Number | 1208081-63-3 |
| Catalog Number | AG019EYX(AGN-PC-0WCLRA) |
| Chemical Name | methyl 5-(hydroxymethyl)-1-methyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | methyl 5-(hydroxymethyl)-1-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C7H10N2O3/c1-9-5(4-10)3-6(8-9)7(11)12-2/h3,10H,4H2,1-2H3 |
| InChI Key | LGHMSSOQHUYMQX-UHFFFAOYSA-N |
| MDL Number | MFCD10568328 |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.1659 |
| SMILES | OCC1=CC(=NN1C)C(=O)OC |
| Synonyms | 1208081-63-3,
methyl 5-(hydroxymethyl)-1-methyl-1H-pyrazole-3-carboxylate,
METHYL 5-HYDROXYMETHYL-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE,
methyl 5-(hydroxymethyl)-1-methylpyrazole-3-carboxylate,
SCHEMBL15771676,
CTK6I3749,
KS-00003GVB,
LGHMSSOQHUYMQX-UHFFFAOYSA-N,
FCH881164,
MFCD10568328,
SBB088392,
ZINC43179082,
AKOS006303605,
AS-5128,
OR346081,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.168g/mol |
| Monoisotopic Mass | 170.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number