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Home > Other Heterocycles > 75080-55-6
75080-55-6 | Spiro[1,3-benzodioxole-2,1'-cyclohexan]-5-ol
CAS No: 75080-55-6 Catalog No: AG0056S2 MDL No:
Product Description
Catalog Number:
AG0056S2
Chemical Name:
Spiro[1,3-benzodioxole-2,1'-cyclohexan]-5-ol
CAS Number:
75080-55-6
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ol
InChI:
InChI=1S/C12H14O3/c13-9-4-5-10-11(8-9)15-12(14-10)6-2-1-3-7-12/h4-5,8,13H,1-3,6-7H2
InChI Key:
OPBCUSBGBBSDQU-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OC1(O2)CCCCC1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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