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143676-04-4 | Cyclohexanone, 3-(1-oxohexyl)-
CAS No: 143676-04-4 Catalog No: AG001I5P MDL No:
Product Description
Catalog Number:
AG001I5P
Chemical Name:
Cyclohexanone, 3-(1-oxohexyl)-
CAS Number:
143676-04-4
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
3-hexanoylcyclohexan-1-one
InChI:
InChI=1S/C12H20O2/c1-2-3-4-8-12(14)10-6-5-7-11(13)9-10/h10H,2-9H2,1H3
InChI Key:
AZUXRKREUPQODA-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C1CCCC(=O)C1
Properties
Complexity:
208
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:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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