3-Buten-2-one, 4-methoxy-


Chemical Name: 3-Buten-2-one, 4-methoxy-
CAS Number: 4652-27-1
Product Number: AG00DE9U(AGN-PC-0JM0LY)
Synonyms:
MDL No:
Molecular Formula: C5H8O2
Molecular Weight: 100.11582

Identification/Properties


Properties
BP:
200°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.468(lit.)
Solubility:
Miscible with tetrahydrofuran, ether, acetonitrile and benzene.
Computed Properties
Molecular Weight:
100.117g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
100.052g/mol
Monoisotopic Mass:
100.052g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
84.1
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:
Warning
UN#:
N/A
Hazard Statements:
H227-H317-H319-H412
Precautionary Statements:
P210-P273-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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