Home Other Building Blocks 4,6-Dimethylheptan-2-one

4,6-Dimethylheptan-2-one

CAS No.:
19549-80-5
Catalog Number:
AG0037ME
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
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Product Description
Catalog Number:
AG0037ME
Chemical Name:
4,6-Dimethylheptan-2-one
CAS Number:
19549-80-5
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
MDL Number:
MFCD00048360
IUPAC Name:
4,6-dimethylheptan-2-one
InChI:
InChI=1S/C9H18O/c1-7(2)5-8(3)6-9(4)10/h7-8H,5-6H2,1-4H3
InChI Key:
YXFDTUKUWNQPFV-UHFFFAOYSA-N
SMILES:
CC(CC(CC(=O)C)C)C
EC Number:
243-148-3
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties