2-Butenoic acid, 3-methyl-, methyl ester


Chemical Name: 2-Butenoic acid, 3-methyl-, methyl ester
CAS Number: 924-50-5
Product Number: AG003IDC(AGN-PC-0JKB89)
Synonyms:
MDL No:
Molecular Formula: C6H10O2
Molecular Weight: 114.1424

Identification/Properties


Properties
MP:
-41°C
BP:
136.5°C
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Light Sensitive
Refractive Index:
n20/D 1.4364(lit.)
Computed Properties
Molecular Weight:
114.144g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
114.068g/mol
Monoisotopic Mass:
114.068g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
110
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:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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