Home Other Building Blocks 2,5-Dimethylcyclohexanone (mixture of isomers), 95%

2,5-Dimethylcyclohexanone (mixture of isomers), 95%

CAS No.:
932-51-4
Catalog Number:
AG003FZW
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
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Product Description
Catalog Number:
AG003FZW
Chemical Name:
2,5-Dimethylcyclohexanone (mixture of isomers), 95%
CAS Number:
932-51-4
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00045551
IUPAC Name:
2,5-dimethylcyclohexan-1-one
InChI:
InChI=1S/C8H14O/c1-6-3-4-7(2)8(9)5-6/h6-7H,3-5H2,1-2H3
InChI Key:
LUGFNAYTNQMMMY-UHFFFAOYSA-N
SMILES:
CC1CCC(C(=O)C1)C
Properties
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties