| CAS Number | 1295583-21-9 |
| Catalog Number | AG01AFD4 |
| Chemical Name | METHYL 3-(1-METHYL-1H-PYRAZOL-4-YL)PROP-2-ENOATE |
| IUPAC Name | methyl 3-(1-methylpyrazol-4-yl)prop-2-enoate |
| InChI | InChI=1S/C8H10N2O2/c1-10-6-7(5-9-10)3-4-8(11)12-2/h3-6H,1-2H3 |
| InChI Key | RFUOSGKQKNFRGH-UHFFFAOYSA-N |
| MDL Number | MFCD23713913 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | O=C(OC)/C=C/C1=CN(C)N=C1 |
| Synonyms | 1295583-21-9,
SCHEMBL4414091,
RFUOSGKQKNFRGH-UHFFFAOYSA-N,
AKOS017270241,
methyl 3-(1-methylpyrazol-4-yl)acrylate,
methyl 3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoate,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number