CAS 15726-15-5 | 4-Heptanone, 3-methyl- | CAS Number 15726-15-5

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15726-15-5 | 4-Heptanone, 3-methyl-

CAS No: 15726-15-5 Catalog No: AG001PCM MDL No:MFCD00048721

Product Description

Catalog Number:

AG001PCM

Chemical Name:

4-Heptanone, 3-methyl-

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

128.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

128.215g/mol

Monoisotopic Mass:

128.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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