Butanedioic acid, oxo-, diethyl ester


Chemical Name: Butanedioic acid, oxo-, diethyl ester
CAS Number: 108-56-5
Product Number: AG0033F9(AGN-PC-0JL7IB)
Synonyms:
MDL No:
Molecular Formula: C8H12O5
Molecular Weight: 188.1779

Identification/Properties


Properties
BP:
254.2°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Refractive Index:
nD16.6 1.45614
Computed Properties
Molecular Weight:
188.179g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
188.068g/mol
Monoisotopic Mass:
188.068g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
209
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:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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