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10178-13-9 | Cyclohexanone, 2,6-dimethyl-2-phenyl-
CAS No: 10178-13-9 Catalog No: AG0005L3 MDL No:
Product Description
Catalog Number:
AG0005L3
Chemical Name:
Cyclohexanone, 2,6-dimethyl-2-phenyl-
CAS Number:
10178-13-9
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
2,6-dimethyl-2-phenylcyclohexan-1-one
InChI:
InChI=1S/C14H18O/c1-11-7-6-10-14(2,13(11)15)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3
InChI Key:
DMSIAVVCORLKAU-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1=O)(C)c1ccccc1
NSC Number:
97788
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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