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Home > Other Heterocycles > 870717-18-3
870717-18-3 | Spiro[1,4-benzodioxin-2(3H),1'-cyclohexane](9CI)
CAS No: 870717-18-3 Catalog No: AG004GDW MDL No:
Product Description
Catalog Number:
AG004GDW
Chemical Name:
Spiro[1,4-benzodioxin-2(3H),1'-cyclohexane](9CI)
CAS Number:
870717-18-3
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
spiro[2H-1,4-benzodioxine-3,1'-cyclohexane]
InChI:
InChI=1S/C13H16O2/c1-4-8-13(9-5-1)10-14-11-6-2-3-7-12(11)15-13/h2-3,6-7H,1,4-5,8-10H2
InChI Key:
PHDMATVOOUJQJD-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)COc1c(O2)cccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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