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125530-11-2 | Cyclohexanone, 3-(4-acetylphenyl)-
CAS No: 125530-11-2 Catalog No: AG000NT8 MDL No:
Product Description
Catalog Number:
AG000NT8
Chemical Name:
Cyclohexanone, 3-(4-acetylphenyl)-
CAS Number:
125530-11-2
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
3-(4-acetylphenyl)cyclohexan-1-one
InChI:
InChI=1S/C14H16O2/c1-10(15)11-5-7-12(8-6-11)13-3-2-4-14(16)9-13/h5-8,13H,2-4,9H2,1H3
InChI Key:
UZNLMUDKBLFUCH-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)c1ccc(cc1)C(=O)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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