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89157-44-8 | Heptanal, 2,6-dimethyl-4-oxo-
CAS No: 89157-44-8 Catalog No: AG003WOQ MDL No:
Product Description
Catalog Number:
AG003WOQ
Chemical Name:
Heptanal, 2,6-dimethyl-4-oxo-
CAS Number:
89157-44-8
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
2,6-dimethyl-4-oxoheptanal
InChI:
InChI=1S/C9H16O2/c1-7(2)4-9(11)5-8(3)6-10/h6-8H,4-5H2,1-3H3
InChI Key:
XXHLHYAXKOANEU-UHFFFAOYSA-N
SMILES:
O=CC(CC(=O)CC(C)C)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Headspace volatiles along with other instrumental and sensory analyses as indices of maturation of horse mackerel miso. | Journal of food science 20101001 |
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