2-Propenoic acid, 2-cyano-, butyl ester


Chemical Name: 2-Propenoic acid, 2-cyano-, butyl ester
CAS Number: 6606-65-1
Product Number: AG00FCFK(AGN-PC-0JKGUK)
Synonyms:
MDL No:
Molecular Formula: C8H11NO2
Molecular Weight: 153.1784

Identification/Properties


Properties
BP:
232.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20D 1.4424; nD25 1.4410
Computed Properties
Molecular Weight:
153.181g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
153.079g/mol
Monoisotopic Mass:
153.079g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
199
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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