Propanedioic acid, (2-cyanoethyl)-, diethyl ester


Chemical Name: Propanedioic acid, (2-cyanoethyl)-, diethyl ester
CAS Number: 17216-62-5
Product Number: AG003PFD(AGN-PC-0JLWII)
Synonyms:
MDL No:
Molecular Formula: C10H15NO4
Molecular Weight: 213.2304

Identification/Properties


Properties
BP:
288.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
213.233g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
213.1g/mol
Monoisotopic Mass:
213.1g/mol
Topological Polar Surface Area:
76.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
248
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:
H302-H312-H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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