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116376-29-5 | 1,3-Dioxane, 5,5-dimethyl-2-[2-(phenylmethoxy)ethyl]-
CAS No: 116376-29-5 Catalog No: AG000CCJ MDL No:
Product Description
Catalog Number:
AG000CCJ
Chemical Name:
1,3-Dioxane, 5,5-dimethyl-2-[2-(phenylmethoxy)ethyl]-
CAS Number:
116376-29-5
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
5,5-dimethyl-2-(2-phenylmethoxyethyl)-1,3-dioxane
InChI:
InChI=1S/C15H22O3/c1-15(2)11-17-14(18-12-15)8-9-16-10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChI Key:
JIQSXGPAPCVQSI-UHFFFAOYSA-N
SMILES:
CC1(C)COC(OC1)CCOCc1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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