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159-07-9 | Dispiro[benzofuran-2(3H),1'-cyclohexane-2',2''-[1,3]dioxolane] (8CI,9CI)
CAS No: 159-07-9 Catalog No: AG001R3I MDL No:
Product Description
Catalog Number:
AG001R3I
Chemical Name:
Dispiro[benzofuran-2(3H),1'-cyclohexane-2',2''-[1,3]dioxolane] (8CI,9CI)
CAS Number:
159-07-9
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
InChI:
InChI=1S/C15H18O3/c1-2-6-13-12(5-1)11-14(18-13)7-3-4-8-15(14)16-9-10-17-15/h1-2,5-6H,3-4,7-11H2
InChI Key:
AIWWBERWXUSGOA-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)OC1(C2)CCCCC21OCCO2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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