Hexanedioic acid, monoethyl ester


Chemical Name: Hexanedioic acid, monoethyl ester
CAS Number: 626-86-8
Product Number: AG003S5I(AGN-PC-0LW2CY)
Synonyms:
MDL No:
Molecular Formula: C8H14O4
Molecular Weight: 174.1944

Identification/Properties


Properties
MP:
28-29 °C(lit.)
BP:
285.72°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.439(lit.)
Solubility:
H2O: soluble50mg/mL, clear, colorless
Computed Properties
Molecular Weight:
174.196g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
174.089g/mol
Monoisotopic Mass:
174.089g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
153
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#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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