3-Butenoic acid, methyl ester


Chemical Name: 3-Butenoic acid, methyl ester
CAS Number: 3724-55-8
Product Number: AG00356R(AGN-PC-0JLQM1)
Synonyms:
MDL No:
Molecular Formula: C5H8O2
Molecular Weight: 100.1158

Identification/Properties


Properties
MP:
-78.42°C (estimate)
BP:
112 °C(lit.)
Storage:
Keep in dry area;-10 ℃;
Form:
Liquid
Refractive Index:
n20/D 1.409(lit.)
Computed Properties
Molecular Weight:
100.117g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
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:
76.1
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:
Danger
UN#:
3272
Hazard Statements:
H225
Precautionary Statements:
P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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