4-Pentenoic acid, 2-methyl-, ethyl ester


Chemical Name: 4-Pentenoic acid, 2-methyl-, ethyl ester
CAS Number: 53399-81-8
Product Number: AG003Q4R(AGN-PC-0JL4T0)
Synonyms:
MDL No:
Molecular Formula: C8H14O2
Molecular Weight: 142.1956

Identification/Properties


Properties
Form:
Liquid
Computed Properties
Molecular Weight:
142.198g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
142.099g/mol
Monoisotopic Mass:
142.099g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
118
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


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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