methyl 2-(2-methoxy-2-oxo-ethyl)-1-methyl-pyrrole-3-carboxylate - CAS 871819-39-5
Catalog: |
BB038316 |
Product Name: |
methyl 2-(2-methoxy-2-oxo-ethyl)-1-methyl-pyrrole-3-carboxylate |
CAS: |
871819-39-5 |
Synonyms: |
2-(2-methoxy-2-oxoethyl)-1-methyl-3-pyrrolecarboxylic acid methyl ester; methyl 2-(2-methoxy-2-oxoethyl)-1-methylpyrrole-3-carboxylate |
IUPAC Name: | methyl 2-(2-methoxy-2-oxoethyl)-1-methylpyrrole-3-carboxylate |
Description: | methyl 2-(2-methoxy-2-oxo-ethyl)-1-methyl-pyrrole-3-carboxylate (CAS# 871819-39-5) is a useful research chemical. |
Molecular Weight: | 211.217 |
Molecular Formula: | C10H13NO4 |
Canonical SMILES: | CN1C=CC(=C1CC(=O)OC)C(=O)OC |
InChI: | InChI=1S/C10H13NO4/c1-11-5-4-7(10(13)15-3)8(11)6-9(12)14-2/h4-5H,6H2,1-3H3 |
InChI Key: | CLBGCMDZUUDOBQ-UHFFFAOYSA-N |
LogP: | 0.52720 |
Publication Number | Title | Priority Date |
WO-2008116816-A1 | Combination of cb2 ligand and paracetamol | 20070326 |
WO-2007017264-A2 | Pyrrolopyridinederivatives as modulators of the cannabinoid receptor for the treatment of immune and inflammatory disorders | 20050809 |
AU-2005251913-A1 | Pyrrolopyridine derivatives | 20040609 |
CA-2569887-A1 | Pyrrolopyridine derivatives | 20040609 |
EP-1753764-A1 | Pyrrolopyridine derivatives | 20040609 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0844579 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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