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Home > Other Heterocycles > 113781-13-8
113781-13-8 | 3,6-Dioxabicyclo[3.2.1]octan-2-one, 1-hydroxy-, (1R,5S)-
CAS No: 113781-13-8 Catalog No: AG0009OD MDL No:
Product Description
Catalog Number:
AG0009OD
Chemical Name:
3,6-Dioxabicyclo[3.2.1]octan-2-one, 1-hydroxy-, (1R,5S)-
CAS Number:
113781-13-8
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
1-hydroxy-3,6-dioxabicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C6H8O4/c7-5-6(8)1-4(2-9-5)10-3-6/h4,8H,1-3H2
InChI Key:
UQAWOOIZSRDPLA-UHFFFAOYSA-N
SMILES:
O=C1OC[C@@H]2C[C@@]1(O)CO2
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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