Methyl 4-Hydroxypyrrole-2-carboxylate - CAS 956446-00-7
Catalog: |
BB041788 |
Product Name: |
Methyl 4-Hydroxypyrrole-2-carboxylate |
CAS: |
956446-00-7 |
Synonyms: |
4-hydroxy-1H-pyrrole-2-carboxylic acid methyl ester; methyl 4-hydroxy-1H-pyrrole-2-carboxylate |
IUPAC Name: | methyl 4-hydroxy-1H-pyrrole-2-carboxylate |
Description: | Methyl 4-Hydroxypyrrole-2-carboxylate (CAS# 956446-00-7) is a useful reagent for organic synthesis. |
Molecular Weight: | 141.12 |
Molecular Formula: | C6H7NO3 |
Canonical SMILES: | COC(=O)C1=CC(=CN1)O |
InChI: | InChI=1S/C6H7NO3/c1-10-6(9)5-2-4(8)3-7-5/h2-3,7-8H,1H3 |
InChI Key: | AAHOSGJLUMHDJM-UHFFFAOYSA-N |
LogP: | 0.50690 |
Publication Number | Title | Priority Date |
AU-2018382422-A1 | Pyrrole derivatives as ACC inhibitors | 20171211 |
TW-201930265-A | Pyrrole derivatives as ACC inhibitors | 20171211 |
WO-2019115405-A1 | Pyrrole derivatives as acc inhibitors | 20171211 |
AU-2018382422-B2 | Pyrrole derivatives as ACC inhibitors | 20171211 |
BR-112020005829-A2 | pyrrole derivatives as acc inhibitors | 20171211 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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