2-Propenoic acid, 2-cyano-, ethyl ester


Chemical Name: 2-Propenoic acid, 2-cyano-, ethyl ester
CAS Number: 7085-85-0
Product Number: AG0063AV(AGN-PC-0JLTB7)
Synonyms:
MDL No:
Molecular Formula: C6H7NO2
Molecular Weight: 125.1253

Identification/Properties


Properties
MP:
-20 to -25°
BP:
bp 54-56° (0.21-0.40 kPa)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
nD20 1.4391
Computed Properties
Molecular Weight:
125.127g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
125.048g/mol
Monoisotopic Mass:
125.048g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
175
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:
H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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