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876-52-8 | 1,3-Dioxane, 5,5-diethyl-2,2-dimethyl-
CAS No: 876-52-8 Catalog No: AG004O1S MDL No:MFCD22053893
Product Description
Catalog Number:
AG004O1S
Chemical Name:
1,3-Dioxane, 5,5-diethyl-2,2-dimethyl-
CAS Number:
876-52-8
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD22053893
IUPAC Name:
5,5-diethyl-2,2-dimethyl-1,3-dioxane
InChI:
InChI=1S/C10H20O2/c1-5-10(6-2)7-11-9(3,4)12-8-10/h5-8H2,1-4H3
InChI Key:
XOWOPWRJQUHRDZ-UHFFFAOYSA-N
SMILES:
CCC1(CC)COC(OC1)(C)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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