2-Octen-4-one


Chemical Name: 2-Octen-4-one
CAS Number: 4643-27-0
Product Number: AG003HTP(AGN-PC-0JS9WQ)
Synonyms:
MDL No:
Molecular Formula: C8H14O
Molecular Weight: 126.19616

Identification/Properties


Properties
BP:
65°C/15mm
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
1.4450
Computed Properties
Molecular Weight:
126.199g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
126.104g/mol
Monoisotopic Mass:
126.104g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
103
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1224
Hazard Statements:
H226
Precautionary Statements:
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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