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Home > Other Heterocycles > 116409-36-0
116409-36-0 | 2,9-Dioxabicyclo[3.3.1]nonane, 1-methyl-
CAS No: 116409-36-0 Catalog No: AG000CF9 MDL No:
Product Description
Catalog Number:
AG000CF9
Chemical Name:
2,9-Dioxabicyclo[3.3.1]nonane, 1-methyl-
CAS Number:
116409-36-0
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
1-methyl-2,9-dioxabicyclo[3.3.1]nonane
InChI:
InChI=1S/C8H14O2/c1-8-5-2-3-7(10-8)4-6-9-8/h7H,2-6H2,1H3
InChI Key:
JRRDYWPOIFANKV-UHFFFAOYSA-N
SMILES:
CC12CCCC(O2)CCO1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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