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1231-51-2 | 1,4-Dioxane, 2,5-dimethoxy-2,5-diphenyl-
CAS No: 1231-51-2 Catalog No: AG000K1H MDL No:
Product Description
Catalog Number:
AG000K1H
Chemical Name:
1,4-Dioxane, 2,5-dimethoxy-2,5-diphenyl-
CAS Number:
1231-51-2
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
IUPAC Name:
2,5-dimethoxy-2,5-diphenyl-1,4-dioxane
InChI:
InChI=1S/C18H20O4/c1-19-17(15-9-5-3-6-10-15)13-22-18(20-2,14-21-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChI Key:
WWQNOCASWXDJGK-UHFFFAOYSA-N
SMILES:
COC1(OCC(OC1)(OC)c1ccccc1)c1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.354g/mol
Monoisotopic Mass:
300.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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