3-Butenoic acid, 2-methyl-


Chemical Name: 3-Butenoic acid, 2-methyl-
CAS Number: 53774-20-2
Product Number: AG00D9PL(AGN-PC-0AMBAB)
Synonyms:
MDL No:
Molecular Formula: C5H8O2
Molecular Weight: 100.11582

Identification/Properties


Properties
MP:
20.44°C (estimate)
BP:
42-43 °C/0.1 mmHg(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.424
Computed Properties
Molecular Weight:
100.117g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
100.052g/mol
Monoisotopic Mass:
100.052g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
86.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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