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86505-48-8 | Cyclopentanone, 3-methyl-3-(4-methylphenyl)-, (R)-
CAS No: 86505-48-8 Catalog No: AG004M0S MDL No:
Product Description
Catalog Number:
AG004M0S
Chemical Name:
Cyclopentanone, 3-methyl-3-(4-methylphenyl)-, (R)-
CAS Number:
86505-48-8
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
(3R)-3-methyl-3-(4-methylphenyl)cyclopentan-1-one
InChI:
InChI=1S/C13H16O/c1-10-3-5-11(6-4-10)13(2)8-7-12(14)9-13/h3-6H,7-9H2,1-2H3/t13-/m1/s1
InChI Key:
BKGHCDINFFMWNU-CYBMUJFWSA-N
SMILES:
O=C1CC[C@@](C1)(C)c1ccc(cc1)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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