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Home > Other Heterocycles > 16194-31-3
16194-31-3 | 2,7-Dioxabicyclo[2.2.1]heptane, 1,3,3-trimethyl-
CAS No: 16194-31-3 Catalog No: AG001SJN MDL No:
Product Description
Catalog Number:
AG001SJN
Chemical Name:
2,7-Dioxabicyclo[2.2.1]heptane, 1,3,3-trimethyl-
CAS Number:
16194-31-3
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
1,3,3-trimethyl-2,7-dioxabicyclo[2.2.1]heptane
InChI:
InChI=1S/C8H14O2/c1-7(2)6-4-5-8(3,9-6)10-7/h6H,4-5H2,1-3H3
InChI Key:
FZROIABWHZJKHT-UHFFFAOYSA-N
SMILES:
CC12CCC(O1)C(O2)(C)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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