5,8-Dimethoxy-1-tetralone - CAS 1015-55-0
Catalog: |
BB000534 |
Product Name: |
5,8-Dimethoxy-1-tetralone |
CAS: |
1015-55-0 |
Synonyms: |
5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one |
IUPAC Name: | 5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one |
Description: | 5,8-Dimethoxy-1-tetralone (CAS# 1015-55-0) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | COC1=C2CCCC(=O)C2=C(C=C1)OC |
InChI: | InChI=1S/C12H14O3/c1-14-10-6-7-11(15-2)12-8(10)4-3-5-9(12)13/h6-7H,3-5H2,1-2H3 |
InChI Key: | VAMWBRIIBYQTGS-UHFFFAOYSA-N |
Boiling Point: | 366 °C at 760 mmHg |
Melting Point: | 59-63 °C (lit.) |
Purity: | 95 % |
Density: | 1.14 g/cm3 |
MDL: | MFCD03701612 |
LogP: | 2.22280 |
Publication Number | Title | Priority Date |
US-2018244611-A1 | Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use | 20170224 |
WO-2018154519-A1 | Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use | 20170224 |
EP-2762134-A1 | Composition for treatment of pathogens that are resistant to tetracyclines | 20130204 |
EP-2950793-A1 | Composition for treatment of pathogens that are resistant to tetracyclines | 20130204 |
EP-2950793-B1 | Composition for treatment of pathogens that are resistant to tetracyclines | 20130204 |
PMID | Publication Date | Title | Journal |
21765926 | 20110101 | Extension of lifespan in C. elegans by naphthoquinones that act through stress hormesis mechanisms | PloS one |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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