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117269-69-9 | 1-Propanone, 1-cyclohexyl-2-phenyl-
CAS No: 117269-69-9 Catalog No: AG000E16 MDL No:
Product Description
Catalog Number:
AG000E16
Chemical Name:
1-Propanone, 1-cyclohexyl-2-phenyl-
CAS Number:
117269-69-9
Molecular Formula:
C15H20O
Molecular Weight:
216.3187
IUPAC Name:
1-cyclohexyl-2-phenylpropan-1-one
InChI:
InChI=1S/C15H20O/c1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3
InChI Key:
GUAOVBWWMVLETQ-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)C(=O)C1CCCCC1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.151g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.324g/mol
Monoisotopic Mass:
216.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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