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188819-51-4 | 1,3-Dioxane, 2-(6-azulenyl)-5-pentyl-, trans-
CAS No: 188819-51-4 Catalog No: AG002HDF MDL No:
Product Description
Catalog Number:
AG002HDF
Chemical Name:
1,3-Dioxane, 2-(6-azulenyl)-5-pentyl-, trans-
CAS Number:
188819-51-4
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
IUPAC Name:
2-azulen-6-yl-5-pentyl-1,3-dioxane
InChI:
InChI=1S/C19H24O2/c1-2-3-4-6-15-13-20-19(21-14-15)18-11-9-16-7-5-8-17(16)10-12-18/h5,7-12,15,19H,2-4,6,13-14H2,1H3
InChI Key:
XWHJMQJKWHYFRW-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CO[C@H](OC1)c1ccc2c(cc1)ccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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