Propanedioic acid, ethyl-, diethyl ester


Chemical Name: Propanedioic acid, ethyl-, diethyl ester
CAS Number: 133-13-1
Product Number: AG0011HG(AGN-PC-0CJ65C)
Synonyms:
MDL No:
Molecular Formula: C9H16O4
Molecular Weight: 188.2209

Identification/Properties


Properties
MP:
0°C
BP:
208.0°C
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.416(lit.)
Solubility:
2.87g/l
Computed Properties
Molecular Weight:
188.223g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
188.105g/mol
Monoisotopic Mass:
188.105g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
159
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:
Warning
UN#:
N/A
Hazard Statements:
H227-H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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