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122059-99-8 | Cyclohexanone, 2-(1-oxoheptyl)-
CAS No: 122059-99-8 Catalog No: AG0016PG MDL No:
Product Description
Catalog Number:
AG0016PG
Chemical Name:
Cyclohexanone, 2-(1-oxoheptyl)-
CAS Number:
122059-99-8
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
2-heptanoylcyclohexan-1-one
InChI:
InChI=1S/C13H22O2/c1-2-3-4-5-9-12(14)11-8-6-7-10-13(11)15/h11H,2-10H2,1H3
InChI Key:
GVWBMACEITYPFO-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C1CCCCC1=O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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