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27648-26-6 | Ethanone, 1-phenyl-2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 27648-26-6 Catalog No: AG002UBM MDL No:
Product Description
Catalog Number:
AG002UBM
Chemical Name:
Ethanone, 1-phenyl-2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
27648-26-6
Molecular Formula:
C18H22O
Molecular Weight:
254.3667
IUPAC Name:
2-(1-adamantyl)-1-phenylethanone
InChI:
InChI=1S/C18H22O/c19-17(16-4-2-1-3-5-16)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2
InChI Key:
YRBSXKFXIFONEN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.373g/mol
Monoisotopic Mass:
254.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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