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144536-58-3 | Cyclohexanone, 2-(3,3-dimethyl-2-oxobutyl)-
CAS No: 144536-58-3 Catalog No: AG001JQ2 MDL No:
Product Description
Catalog Number:
AG001JQ2
Chemical Name:
Cyclohexanone, 2-(3,3-dimethyl-2-oxobutyl)-
CAS Number:
144536-58-3
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
2-(3,3-dimethyl-2-oxobutyl)cyclohexan-1-one
InChI:
InChI=1S/C12H20O2/c1-12(2,3)11(14)8-9-6-4-5-7-10(9)13/h9H,4-8H2,1-3H3
InChI Key:
MZKARWNNTCFONE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CC(=O)C(C)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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