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Home > Other Heterocycles > 99765-58-9
99765-58-9 | 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol
CAS No: 99765-58-9 Catalog No: AG003W2D MDL No:
Product Description
Catalog Number:
AG003W2D
Chemical Name:
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol
CAS Number:
99765-58-9
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol
InChI:
InChI=1S/C10H18O3/c1-8(2)10(12)5-4-9(3,13-8)7(11)6-10/h7,11-12H,4-6H2,1-3H3
InChI Key:
PEWQMISWINPIPZ-UHFFFAOYSA-N
SMILES:
OC1CC2(O)CCC1(C)OC2(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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