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128402-06-2 | Cyclohexanone, 2-benzoyl-2-methyl-
CAS No: 128402-06-2 Catalog No: AG000Y20 MDL No:
Product Description
Catalog Number:
AG000Y20
Chemical Name:
Cyclohexanone, 2-benzoyl-2-methyl-
CAS Number:
128402-06-2
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
2-benzoyl-2-methylcyclohexan-1-one
InChI:
InChI=1S/C14H16O2/c1-14(10-6-5-9-12(14)15)13(16)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChI Key:
JECYRXSLRHHTLZ-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1(C)C(=O)c1ccccc1
Properties
Complexity:
289
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:
2.9
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