Home Aldehydes 5-methyl-2-oxocyclohexane-1-carbaldehyde

5-methyl-2-oxocyclohexane-1-carbaldehyde

CAS No.:
26706-86-5
Catalog Number:
AG01CA86
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
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Product Description
Catalog Number:
AG01CA86
Chemical Name:
5-methyl-2-oxocyclohexane-1-carbaldehyde
CAS Number:
26706-86-5
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
5-methyl-2-oxocyclohexane-1-carbaldehyde
InChI:
InChI=1S/C8H12O2/c1-6-2-3-8(10)7(4-6)5-9/h5-7H,2-4H2,1H3
InChI Key:
ITPAXHMRAZLLJP-UHFFFAOYSA-N
SMILES:
O=CC1CC(C)CCC1=O
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties