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139719-68-9 | 1-Propanone, 1-(1-hydroxycyclohexyl)-3-phenyl-
CAS No: 139719-68-9 Catalog No: AG001BKO MDL No:MFCD00560201
Product Description
Catalog Number:
AG001BKO
Chemical Name:
1-Propanone, 1-(1-hydroxycyclohexyl)-3-phenyl-
CAS Number:
139719-68-9
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
MDL Number:
MFCD00560201
IUPAC Name:
1-(1-hydroxycyclohexyl)-3-phenylpropan-1-one
InChI:
InChI=1S/C15H20O2/c16-14(15(17)11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-8,17H,2,5-6,9-12H2
InChI Key:
JNPMKVGVKUKYRV-UHFFFAOYSA-N
SMILES:
O=C(C1(O)CCCCC1)CCc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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