| CAS Number | 1001519-16-9 |
| Catalog Number | AG00JESK(AGN-PC-0WBAFR) |
| Chemical Name | methyl 1-(hydroxymethyl)-1H-pyrazole-3-carboxylate |
| IUPAC Name | methyl 1-(hydroxymethyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C6H8N2O3/c1-11-6(10)5-2-3-8(4-9)7-5/h2-3,9H,4H2,1H3 |
| InChI Key | PCSYENHALRROFA-UHFFFAOYSA-N |
| MDL Number | MFCD05861652 |
| Molecular Formula | C6H8N2O3 |
| Molecular Weight | 156.1393 |
| SMILES | COC(C1=NN(CO)C=C1)=O |
| Synonyms | methyl 1-(hydroxymethyl)-1H-pyrazole-3-carboxylate,
1001519-16-9,
methyl 1-(hydroxymethyl)pyrazole-3-carboxylate,
CTK6J0863,
ZINC2554014,
MFCD05861652,
SBB022670,
STK349902,
AKOS000311336,
MCULE-5957426346,
ST45091653,
Z2065464267,
1-Hydroxymethyl-1H-pyrazole-3-carboxylic acid methyl ester,
1-hydroxymethyl-1h-pyrazole-3-carboxylic acidmethyl ester,
ZINC02554014,
CID7018629,
|
| Complexity | 151 |
| 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 | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number