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116809-86-0 | 1,4-Dioxin, 2,3-dihydro-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No: 116809-86-0 Catalog No: AG000D8M MDL No:
Product Description
Catalog Number:
AG000D8M
Chemical Name:
1,4-Dioxin, 2,3-dihydro-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS Number:
116809-86-0
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
5-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydro-1,4-dioxine
InChI:
InChI=1S/C13H20O2/c1-10-5-4-6-13(2,3)12(10)11-9-14-7-8-15-11/h9H,4-8H2,1-3H3
InChI Key:
HAVXKPYEYYVTRF-UHFFFAOYSA-N
SMILES:
CC1=C(C2=COCCO2)C(CCC1)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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