1-Acetyl-2,6-dimethoxynaphthalene - CAS 86539-77-7
Catalog: |
BB037980 |
Product Name: |
1-Acetyl-2,6-dimethoxynaphthalene |
CAS: |
86539-77-7 |
Synonyms: |
1-(2,6-dimethoxy-1-naphthalenyl)ethanone; 1-(2,6-dimethoxynaphthalen-1-yl)ethanone |
IUPAC Name: | 1-(2,6-dimethoxynaphthalen-1-yl)ethanone |
Description: | 1-Acetyl-2,6-dimethoxynaphthalene (CAS# 86539-77-7) is a useful research chemical. |
Molecular Weight: | 230.26 |
Molecular Formula: | C14H14O3 |
Canonical SMILES: | CC(=O)C1=C(C=CC2=C1C=CC(=C2)OC)OC |
InChI: | InChI=1S/C14H14O3/c1-9(15)14-12-6-5-11(16-2)8-10(12)4-7-13(14)17-3/h4-8H,1-3H3 |
InChI Key: | CKJQPCGQBADQGW-UHFFFAOYSA-N |
LogP: | 3.05960 |
Publication Number | Title | Priority Date |
EP-3081562-A1 | Compound for inhibiting activity of glutathione s-transferase omega 1 and preparation method thereof, and pharmaceutical compositions containing compound | 20131209 |
EP-3081562-B1 | Compound for inhibiting activity of glutathione s-transferase omega 1 and preparation method thereof, and pharmaceutical compositions containing compound | 20131209 |
JP-2014152177-A | Compound for inhibiting activity of glutathione S-transferase omega1, its preparation method, and pharmaceutical composition containing this compound | 20130207 |
JP-5778301-B2 | Compound for inhibiting activity of glutathione S-transferase omega1 and pharmaceutical composition containing the compound | 20130207 |
TW-201431848-A | Compound for inhibiting glutathione S-transferase omega 1 activity and preparation method thereof | 20130207 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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