| CAS Number | 1208081-25-7 |
| Catalog Number | AG01DV2F(AGN-PC-0WC5R8) |
| Chemical Name | Methyl 3-(Hydroxymethyl)-1-Methyl-1H-Pyrazole-5-Carboxylate |
| IUPAC Name | methyl 5-(hydroxymethyl)-2-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C7H10N2O3/c1-9-6(7(11)12-2)3-5(4-10)8-9/h3,10H,4H2,1-2H3 |
| InChI Key | MZHNDLRCKWKTSU-UHFFFAOYSA-N |
| MDL Number | MFCD10568327 |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.1659 |
| SMILES | O=C(C1=CC(CO)=NN1C)OC |
| Synonyms | Methyl 5-hydroxymethyl-2-methyl-2H-pyrazole-3-carboxylate,
1208081-25-7,
methyl 3-(hydroxymethyl)-1-methyl-1H-pyrazole-5-carboxylate,
SCHEMBL20521432,
CTK6I3700,
KS-00003GVA,
FCH881163,
MFCD10568327,
SBB088393,
ZINC43179081,
AKOS006303604,
AS-5127,
OR346080,
TR-072115,
methyl 3-(hydroxymethyl)-1-methylpyrazole-5-carboxylate,
methyl 5-(hydroxymethyl)-2-methylpyrazole-3-carboxylate,
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| 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
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Certificate of Analysis
Lot Number