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Home > Other Heterocycles > 116263-79-7
116263-79-7 | [1,1'-Bibicyclo[2.2.2]octane]-1,1'-diol
CAS No: 116263-79-7 Catalog No: AG000C32 MDL No:
Product Description
Catalog Number:
AG000C32
Chemical Name:
[1,1'-Bibicyclo[2.2.2]octane]-1,1'-diol
CAS Number:
116263-79-7
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
4-(4-hydroxy-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octan-1-ol
InChI:
InChI=1S/C16H26O2/c17-15-7-1-13(2-8-15,3-9-15)14-4-10-16(18,11-5-14)12-6-14/h17-18H,1-12H2
InChI Key:
YCJIOLMYKIWUIJ-UHFFFAOYSA-N
SMILES:
OC12CCC(CC1)(CC2)C12CCC(CC1)(CC2)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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