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20009-44-3 | Naphthalene, 2,7-bis(2-propyn-1-yloxy)-
CAS No: 20009-44-3 Catalog No: AG002CJ9 MDL No:
Product Description
Catalog Number:
AG002CJ9
Chemical Name:
Naphthalene, 2,7-bis(2-propyn-1-yloxy)-
CAS Number:
20009-44-3
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
2,7-bis(prop-2-ynoxy)naphthalene
InChI:
InChI=1S/C16H12O2/c1-3-9-17-15-7-5-13-6-8-16(18-10-4-2)12-14(13)11-15/h1-2,5-8,11-12H,9-10H2
InChI Key:
MTMDDUQOOHMEJH-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc2c(c1)cc(cc2)OCC#C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 2,7-Bis(prop-2-yn-1-yl-oxy)naphthalene. | Acta crystallographica. Section E, Structure reports online 20100701 |
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