Home Other Building Blocks 3-(oxan-4-yl)cyclohexan-1-one

3-(oxan-4-yl)cyclohexan-1-one

CAS No.:
1343339-73-0
Catalog Number:
AG01BTID
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
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Product Description
Catalog Number:
AG01BTID
Chemical Name:
3-(oxan-4-yl)cyclohexan-1-one
CAS Number:
1343339-73-0
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
MDL Number:
MFCD20336546
IUPAC Name:
3-(oxan-4-yl)cyclohexan-1-one
InChI:
InChI=1S/C11H18O2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h9-10H,1-8H2
InChI Key:
RQCLESJBYSYREY-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)C1CCOCC1
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties