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Home > Other Heterocycles > 676543-79-6
676543-79-6 | 2,3-Dioxabicyclo[2.2.2]oct-7-en-5-ol, (1R,4R,5R)-
CAS No: 676543-79-6 Catalog No: AG00645O MDL No:
Product Description
Catalog Number:
AG00645O
Chemical Name:
2,3-Dioxabicyclo[2.2.2]oct-7-en-5-ol, (1R,4R,5R)-
CAS Number:
676543-79-6
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
(1R,4R,5R)-2,3-dioxabicyclo[2.2.2]oct-7-en-5-ol
InChI:
InChI=1S/C6H8O3/c7-5-3-4-1-2-6(5)9-8-4/h1-2,4-7H,3H2/t4-,5+,6+/m0/s1
InChI Key:
DRRIYZQOHCHRML-KVQBGUIXSA-N
SMILES:
O[C@@H]1C[C@H]2OO[C@@H]1C=C2
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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