5-Heptenal, 2,6-dimethyl-


Chemical Name: 5-Heptenal, 2,6-dimethyl-
CAS Number: 106-72-9
Product Number: AG0037ZA(AGN-PC-0JL483)
Synonyms:
MDL No:
Molecular Formula: C9H16O
Molecular Weight: 140.2227

Identification/Properties


Computed Properties
Molecular Weight:
140.226g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
140.12g/mol
Monoisotopic Mass:
140.12g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
121
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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