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122248-91-3 | 2-Propen-1-one, 3-cyclohexyl-1-phenyl-, (2E)-
CAS No: 122248-91-3 Catalog No: AG001701 MDL No:
Product Description
Catalog Number:
AG001701
Chemical Name:
2-Propen-1-one, 3-cyclohexyl-1-phenyl-, (2E)-
CAS Number:
122248-91-3
Molecular Formula:
C15H18O
Molecular Weight:
214.3028
IUPAC Name:
3-cyclohexyl-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C15H18O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2,5-6,9-13H,1,3-4,7-8H2
InChI Key:
FNVRPMLQGSLTOL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/C1CCCCC1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.308g/mol
Monoisotopic Mass:
214.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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