Methyl 3-Oxo-2,3-dihydro-1H-indene-1-carboxylate - CAS 29427-70-1
Catalog: |
BB020202 |
Product Name: |
Methyl 3-Oxo-2,3-dihydro-1H-indene-1-carboxylate |
CAS: |
29427-70-1 |
Synonyms: |
3-oxo-1,2-dihydroindene-1-carboxylic acid methyl ester; methyl 3-oxo-1,2-dihydroindene-1-carboxylate |
IUPAC Name: | methyl 3-oxo-1,2-dihydroindene-1-carboxylate |
Description: | Methyl 3-Oxo-2,3-dihydro-1H-indene-1-carboxylate (CAS# 29427-70-1) is a reactant used in the synthesis of purinyl- and pyrimidinylcarbanucleosides with antiviral activities. |
Molecular Weight: | 190.20 |
Molecular Formula: | C11H10O3 |
Canonical SMILES: | COC(=O)C1CC(=O)C2=CC=CC=C12 |
InChI: | InChI=1S/C11H10O3/c1-14-11(13)9-6-10(12)8-5-3-2-4-7(8)9/h2-5,9H,6H2,1H3 |
InChI Key: | HFFSDUMJDBSQKA-UHFFFAOYSA-N |
LogP: | 1.52960 |
Publication Number | Title | Priority Date |
CN-108250128-A | Compound as potassium channel modulating agents | 20120927 |
WO-2014048165-A1 | Compound as potassium channel modulator | 20120927 |
CA-2836202-A1 | Imidazopyridine compounds | 20110530 |
EP-2716642-A1 | Imidazopyridine compound | 20110530 |
EP-2716642-B1 | Imidazopyridine compound | 20110530 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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