3-Penten-2-one, (3E)-


Chemical Name: 3-Penten-2-one, (3E)-
CAS Number: 3102-33-8
Product Number: AG0031Y5(AGN-PC-0O8SR1)
Synonyms:
MDL No:
Molecular Formula: C5H8O
Molecular Weight: 84.1164

Identification/Properties


Computed Properties
Molecular Weight:
84.118g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
84.058g/mol
Monoisotopic Mass:
84.058g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
72
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#:
1992
Hazard Statements:
H225-H315-H319-H335
Precautionary Statements:
P210-P261-P305+P351+P338
Class:
3,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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