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13288-29-4 | 2,4-Dioxatricyclo[3.3.1.13,7]decane
CAS No: 13288-29-4 Catalog No: AG0011CA MDL No:
Product Description
Catalog Number:
AG0011CA
Chemical Name:
2,4-Dioxatricyclo[3.3.1.13,7]decane
CAS Number:
13288-29-4
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
2,4-dioxatricyclo[3.3.1.13,7]decane
InChI:
InChI=1S/C8H12O2/c1-5-2-7-4-6(1)9-8(3-5)10-7/h5-8H,1-4H2
InChI Key:
FDGDVYKHAJJROE-UHFFFAOYSA-N
SMILES:
C1C2CC3CC1OC(C2)O3
Properties
Complexity:
143
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:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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