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89225-11-6 | Cyclohexanone, 2-[1-(5-methyl-2-furanyl)butyl]-
CAS No: 89225-11-6 Catalog No: AG0043WR MDL No:
Product Description
Catalog Number:
AG0043WR
Chemical Name:
Cyclohexanone, 2-[1-(5-methyl-2-furanyl)butyl]-
CAS Number:
89225-11-6
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
2-[1-(5-methylfuran-2-yl)butyl]cyclohexan-1-one
InChI:
InChI=1S/C15H22O2/c1-3-6-13(15-10-9-11(2)17-15)12-7-4-5-8-14(12)16/h9-10,12-13H,3-8H2,1-2H3
InChI Key:
NQTCJPAXRIAMFH-UHFFFAOYSA-N
SMILES:
CCCC(C1CCCCC1=O)c1ccc(o1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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