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115099-71-3 | 3,9-Dioxatricyclo[4.3.1.02,4]decane (9CI)
CAS No: 115099-71-3 Catalog No: AG000FW0 MDL No:
Product Description
Catalog Number:
AG000FW0
Chemical Name:
3,9-Dioxatricyclo[4.3.1.02,4]decane (9CI)
CAS Number:
115099-71-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3,9-dioxatricyclo[4.3.1.02,4]decane
InChI:
InChI=1S/C8H12O2/c1-2-9-6-3-5(1)4-7-8(6)10-7/h5-8H,1-4H2
InChI Key:
GKMLJTFQIFHXTK-UHFFFAOYSA-N
SMILES:
C1CC2CC(O1)C1C(C2)O1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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