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115651-75-7 | 2-Hexanone, 4-phenyl-, (4R)-
CAS No: 115651-75-7 Catalog No: AG000GOK MDL No:
Product Description
Catalog Number:
AG000GOK
Chemical Name:
2-Hexanone, 4-phenyl-, (4R)-
CAS Number:
115651-75-7
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
(4R)-4-phenylhexan-2-one
InChI:
InChI=1S/C12H16O/c1-3-11(9-10(2)13)12-7-5-4-6-8-12/h4-8,11H,3,9H2,1-2H3/t11-/m1/s1
InChI Key:
BIKATTRGTKYSNK-LLVKDONJSA-N
SMILES:
CC[C@@H](c1ccccc1)CC(=O)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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