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Home > Other Heterocycles > 93704-87-1
93704-87-1 | 2-Oxabicyclo[2.2.2]octane, 1,3-dimethyl-
CAS No: 93704-87-1 Catalog No: AG0061HY MDL No:
Product Description
Catalog Number:
AG0061HY
Chemical Name:
2-Oxabicyclo[2.2.2]octane, 1,3-dimethyl-
CAS Number:
93704-87-1
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
1,3-dimethyl-2-oxabicyclo[2.2.2]octane
InChI:
InChI=1S/C9H16O/c1-7-8-3-5-9(2,10-7)6-4-8/h7-8H,3-6H2,1-2H3
InChI Key:
UHAYVNRWODBYLM-UHFFFAOYSA-N
SMILES:
CC1OC2(C)CCC1CC2
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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