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1134-57-2 | 1,3-Dioxane, 4-(4-methoxyphenyl)-
CAS No: 1134-57-2 Catalog No: AG0008FX MDL No:
Product Description
Catalog Number:
AG0008FX
Chemical Name:
1,3-Dioxane, 4-(4-methoxyphenyl)-
CAS Number:
1134-57-2
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
4-(4-methoxyphenyl)-1,3-dioxane
InChI:
InChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)11-6-7-13-8-14-11/h2-5,11H,6-8H2,1H3
InChI Key:
KSWYKDIKQHGAQE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CCOCO1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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