2,5-Heptadien-4-one, 2,6-dimethyl-


Chemical Name: 2,5-Heptadien-4-one, 2,6-dimethyl-
CAS Number: 504-20-1
Product Number: AG00362B(AGN-PC-00BDYY)
Synonyms:
MDL No:
Molecular Formula: C9H14O
Molecular Weight: 138.2069

Identification/Properties


Properties
MP:
28°C
BP:
198-199°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.497(lit.)
Computed Properties
Molecular Weight:
138.21g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
138.104g/mol
Monoisotopic Mass:
138.104g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
157
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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