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Home > Other Heterocycles > 189509-25-9
189509-25-9 | 1,3-Dioxaspiro[5.5]undecan-9-one, 2-phenyl-
CAS No: 189509-25-9 Catalog No: AG002DQ7 MDL No:
Product Description
Catalog Number:
AG002DQ7
Chemical Name:
1,3-Dioxaspiro[5.5]undecan-9-one, 2-phenyl-
CAS Number:
189509-25-9
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
2-phenyl-1,3-dioxaspiro[5.5]undecan-9-one
InChI:
InChI=1S/C15H18O3/c16-13-6-8-15(9-7-13)10-11-17-14(18-15)12-4-2-1-3-5-12/h1-5,14H,6-11H2
InChI Key:
UTGMKPZXDJNHOW-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)CCOC(O2)c1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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