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Home > Other Heterocycles > 118389-15-4
118389-15-4 | (1S,4R,6S)-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CAS No: 118389-15-4 Catalog No: AG01BHDD MDL No:MFCD20274752
Product Description
Catalog Number:
AG01BHDD
Chemical Name:
(1S,4R,6S)-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CAS Number:
118389-15-4
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD20274752
IUPAC Name:
(1R,4R)-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-ol
InChI:
InChI=1S/C9H16O2/c1-9(2)6-3-4-8(11-9)7(10)5-6/h6-8,10H,3-5H2,1-2H3/t6-,7?,8-/m1/s1
InChI Key:
APVNWJMMPRPJSG-OECOWPMFSA-N
SMILES:
O[C@H]1C[C@H]2CC[C@@H]1OC2(C)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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