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3900-49-0 | 1,6-Dimethoxynaphthalene
CAS No: 3900-49-0 Catalog No: AG003B5F MDL No:MFCD00086330
Product Description
Catalog Number:
AG003B5F
Chemical Name:
1,6-Dimethoxynaphthalene
CAS Number:
3900-49-0
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD00086330
IUPAC Name:
1,6-dimethoxynaphthalene
InChI:
InChI=1S/C12H12O2/c1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2/h3-8H,1-2H3
InChI Key:
RBUFUWIWCCOVOS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cccc2OC
NSC Number:
167477
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Hydrogen-bonded inclusion compounds with reversed polarity: anionic metal-complexes and cationic organic linkers. | Inorganic chemistry 20111219 |
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