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Home > Other Heterocycles > 1172846-34-2
1172846-34-2 | 8-Oxabicyclo[3.2.1]octan-3-ol-X13630
CAS No: 1172846-34-2 Catalog No: AG000E1H MDL No:MFCD09866852
Product Description
Catalog Number:
AG000E1H
Chemical Name:
8-Oxabicyclo[3.2.1]octan-3-ol-X13630
CAS Number:
1172846-34-2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD09866852
IUPAC Name:
8-oxabicyclo[3.2.1]octan-3-ol
InChI:
InChI=1S/C7H12O2/c8-5-3-6-1-2-7(4-5)9-6/h5-8H,1-4H2
InChI Key:
CSGTZGMKSPXFEQ-UHFFFAOYSA-N
SMILES:
OC1CC2CCC(C1)O2
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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