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1195-93-3 | Cyclohexanone, 2,2,6,6-tetramethyl-
CAS No: 1195-93-3 Catalog No: AG000IW7 MDL No:MFCD00049190
Product Description
Catalog Number:
AG000IW7
Chemical Name:
Cyclohexanone, 2,2,6,6-tetramethyl-
CAS Number:
1195-93-3
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
MDL Number:
MFCD00049190
IUPAC Name:
2,2,6,6-tetramethylcyclohexan-1-one
InChI:
InChI=1S/C10H18O/c1-9(2)6-5-7-10(3,4)8(9)11/h5-7H2,1-4H3
InChI Key:
PLWBUOOIBTVSNN-UHFFFAOYSA-N
SMILES:
O=C1C(C)(C)CCCC1(C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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