2-Butenedioic acid (2Z)-, diethyl ester


Chemical Name: 2-Butenedioic acid (2Z)-, diethyl ester
CAS Number: 141-05-9
Product Number: AG001FQ1(AGN-PC-0PQ8FI)
Synonyms:
MDL No:
Molecular Formula: C8H12O4
Molecular Weight: 172.1785

Identification/Properties


Properties
MP:
−10 °C(lit.)
BP:
225°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.441(lit.)
Solubility:
14mg/l
Computed Properties
Molecular Weight:
172.18g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
172.074g/mol
Monoisotopic Mass:
172.074g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
164
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:
H317-H319-H412
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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