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76735-29-0 | 2-Oxabicyclo[2.2.2]octan-5-one, 1,3,3-trimethyl-, (1S,4S)-
CAS No: 76735-29-0 Catalog No: AG005UQZ MDL No:
Product Description
Catalog Number:
AG005UQZ
Chemical Name:
2-Oxabicyclo[2.2.2]octan-5-one, 1,3,3-trimethyl-, (1S,4S)-
CAS Number:
76735-29-0
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
(1S,4S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-one
InChI:
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChI Key:
RFXTXEOQEMTRHL-XCBNKYQSSA-N
SMILES:
O=C1C[C@]2(C)CC[C@H]1C(O2)(C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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