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Home > Other Heterocycles > 144161-38-6
144161-38-6 | 3,9-Dioxabicyclo[4.2.1]nonan-4-one, 8-hydroxy-2-(2-hydroxypropyl)-, (1S,2S,6R,8S)-
CAS No: 144161-38-6 Catalog No: AG001J0A MDL No:
Product Description
Catalog Number:
AG001J0A
Chemical Name:
3,9-Dioxabicyclo[4.2.1]nonan-4-one, 8-hydroxy-2-(2-hydroxypropyl)-, (1S,2S,6R,8S)-
CAS Number:
144161-38-6
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
IUPAC Name:
8-hydroxy-2-(2-hydroxypropyl)-3,9-dioxabicyclo[4.2.1]nonan-4-one
InChI:
InChI=1S/C10H16O5/c1-5(11)2-8-10-7(12)3-6(14-10)4-9(13)15-8/h5-8,10-12H,2-4H2,1H3
InChI Key:
ACOYLHVUGSEGKA-UHFFFAOYSA-N
SMILES:
CC(C[C@@H]1OC(=O)C[C@@H]2O[C@H]1[C@@H](O)C2)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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