Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate - CAS 2436-79-5
Catalog: |
BB018438 |
Product Name: |
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate |
CAS: |
2436-79-5 |
Synonyms: |
diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
IUPAC Name: | diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
Description: | Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate (CAS# 2436-79-5) is a useful research chemical. |
Molecular Weight: | 239.27 |
Molecular Formula: | C12H17NO4 |
Canonical SMILES: | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C |
InChI: | InChI=1S/C12H17NO4/c1-5-16-11(14)9-7(3)10(13-8(9)4)12(15)17-6-2/h13H,5-6H2,1-4H3 |
InChI Key: | XSBSXJAYEPDGSF-UHFFFAOYSA-N |
Boiling Point: | 372.3 °C at 760 mmHg |
Melting Point: | 135-136 °C |
Purity: | 97 % |
Density: | 1.144 g/cm3 |
Appearance: | Light yellow to light pink |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00005218 |
LogP: | 1.98490 |
Publication Number | Title | Priority Date |
WO-2021094209-A1 | Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists | 20191112 |
JP-2016537384-A | Pyrrolopyrrolone derivatives and their use as BET inhibitors | 20131121 |
JP-2011157556-A | Polyester and process for producing the same | 20110322 |
CA-2714076-A1 | Modifier for aromatic polyester and aromatic polyester resin composition comprising the same | 20100313 |
US-2011224343-A1 | Modifier for aromatic polyester and aromatic polyester resin composition comprising the same | 20100313 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.11575802 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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