Home Other Building Blocks 2,4-DIMETHYL-3-HEXANONE

2,4-DIMETHYL-3-HEXANONE

CAS No.:
18641-70-8
Catalog Number:
AG00APDL
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
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Product Description
Catalog Number:
AG00APDL
Chemical Name:
2,4-DIMETHYL-3-HEXANONE
CAS Number:
18641-70-8
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00027050
IUPAC Name:
2,4-dimethylhexan-3-one
InChI:
InChI=1S/C8H16O/c1-5-7(4)8(9)6(2)3/h6-7H,5H2,1-4H3
InChI Key:
PZAPVPGZDHJUTO-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C(C)C)C
Properties
Complexity:
94.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties