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Home Other Building Blocks 3-Methyl-4-heptanone

3-Methyl-4-heptanone

CAS No.:
15726-15-5
Catalog Number:
AG001PCM
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$85
- +
5g
95%
In Stock USA
United States
$214
- +
10g
95%
In Stock USA
United States
$384
- +
Product Description
Catalog Number:
AG001PCM
Chemical Name:
3-Methyl-4-heptanone
CAS Number:
15726-15-5
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00048721
IUPAC Name:
3-methylheptan-4-one
InChI:
InChI=1S/C8H16O/c1-4-6-8(9)7(3)5-2/h7H,4-6H2,1-3H3
InChI Key:
NHIMSNHOEAVUKE-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(CC)C
EC Number:
239-820-0
Properties
Complexity:
86.6  
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:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Characterization of the key odorants in raw Italian hazelnuts ( Corylus avellana L. var. Tonda Romana) and roasted hazelnut paste by means of molecular sensory science. Journal of agricultural and food chemistry 20120523
Changes in the key odorants of Italian Hazelnuts ( Coryllus avellana L. Var. Tonda Romana) induced by roasting. Journal of agricultural and food chemistry 20100526
Properties