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Home > Other Heterocycles > 171-80-2
171-80-2 | Spiro[cyclohexane-1,1'(3'H)-isobenzofuran]
CAS No: 171-80-2 Catalog No: AG007DEL MDL No:
Product Description
Catalog Number:
AG007DEL
Chemical Name:
Spiro[cyclohexane-1,1'(3'H)-isobenzofuran]
CAS Number:
171-80-2
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
spiro[1H-2-benzofuran-3,1'-cyclohexane]
InChI:
InChI=1S/C13H16O/c1-4-8-13(9-5-1)12-7-3-2-6-11(12)10-14-13/h2-3,6-7H,1,4-5,8-10H2
InChI Key:
WWKVFWLVVSEMCQ-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)OCc1c2cccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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