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105705-98-4 | Spiro[cyclohexane-1,1'-[1H]indene]-5',7'-diol, 2',3'-dihydro-
CAS No: 105705-98-4 Catalog No: AG007FJX MDL No:
Product Description
Catalog Number:
AG007FJX
Chemical Name:
Spiro[cyclohexane-1,1'-[1H]indene]-5',7'-diol, 2',3'-dihydro-
CAS Number:
105705-98-4
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
spiro[1,2-dihydroindene-3,1'-cyclohexane]-4,6-diol
InChI:
InChI=1S/C14H18O2/c15-11-8-10-4-7-14(5-2-1-3-6-14)13(10)12(16)9-11/h8-9,15-16H,1-7H2
InChI Key:
DJMJKPIOHKKBLO-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)CCC12CCCCC1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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