Methyl 4-(1-methyl-1H-pyrazol-5-yl)-2,4-dioxobutanoate - CAS 1172349-92-6
Catalog: |
BB052744 |
Product Name: |
Methyl 4-(1-methyl-1H-pyrazol-5-yl)-2,4-dioxobutanoate |
CAS: |
1172349-92-6 |
Synonyms: |
methyl 4-(1-methylpyrazol-5-yl)-2,4-dioxobutanoate |
IUPAC Name: | methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate |
Molecular Weight: | 210.19 |
Molecular Formula: | C9H10N2O4 |
Canonical SMILES: | CN1C(=CC=N1)C(=O)CC(=O)C(=O)OC |
InChI: | InChI=1S/C9H10N2O4/c1-11-6(3-4-10-11)7(12)5-8(13)9(14)15-2/h3-4H,5H2,1-2H3 |
InChI Key: | OQSFLPWVAHCOBZ-UHFFFAOYSA-N |
Boiling Point: | 372.2±22.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0640568 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0640568 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 78.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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