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Home > Other Heterocycles > 25163-93-3
25163-93-3 | 1,4-Dioxaspiro[4.5]decane, 8-phenyl-
CAS No: 25163-93-3 Catalog No: AG002QPX MDL No:
Product Description
Catalog Number:
AG002QPX
Chemical Name:
1,4-Dioxaspiro[4.5]decane, 8-phenyl-
CAS Number:
25163-93-3
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
8-phenyl-1,4-dioxaspiro[4.5]decane
InChI:
InChI=1S/C14H18O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14/h1-5,13H,6-11H2
InChI Key:
PSNYNMATNZGQSI-UHFFFAOYSA-N
SMILES:
C1COC2(O1)CCC(CC2)c1ccccc1
Properties
Complexity:
217
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:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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