Dimethyl 2-(2-Pyrimidyl)malonate - CAS 93271-75-1
Catalog: |
BB040833 |
Product Name: |
Dimethyl 2-(2-Pyrimidyl)malonate |
CAS: |
93271-75-1 |
Synonyms: |
2-(2-pyrimidinyl)propanedioic acid dimethyl ester; dimethyl 2-pyrimidin-2-ylpropanedioate |
IUPAC Name: | dimethyl 2-pyrimidin-2-ylpropanedioate |
Description: | Dimethyl 2-(2-Pyrimidyl)malonate (CAS# 93271-75-1) is a useful research chemical. |
Molecular Weight: | 210.19 |
Molecular Formula: | C9H10N2O4 |
Canonical SMILES: | COC(=O)C(C1=NC=CC=N1)C(=O)OC |
InChI: | InChI=1S/C9H10N2O4/c1-14-8(12)6(9(13)15-2)7-10-4-3-5-11-7/h3-6H,1-2H3 |
InChI Key: | UBEKYGUUQKFFTI-UHFFFAOYSA-N |
Boiling Point: | 282.6 °C at 760 mmHg |
Density: | 1.266 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | -0.09380 |
Publication Number | Title | Priority Date |
AU-723098-B2 | Substituted triazolo-pyridazine derivatives as ligands for GABA receptors | 19960725 |
CA-2260774-C | Substituted triazolo-pyridazine derivatives as ligands for gaba receptors | 19960725 |
CZ-18199-A3 | Triazolopyridazine Derivatives, Production Method and Pharmaceutical Composition | 19960725 |
EA-002436-B1 | SUBSTITUTED DERIVATIVES OF TRIAZOLO-PYRIDAZINE AS GIANT RECEPTOR LIGANDS | 19960725 |
EP-0915875-A2 | Substituted triazolo-pyridazine derivatives as ligands for gaba receptors | 19960725 |
Complexity: | 222 |
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: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0640568 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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