Propanenitrile, 3-methoxy-


Chemical Name: Propanenitrile, 3-methoxy-
CAS Number: 110-67-8
Product Number: AG003JO1(AGN-PC-0JL48I)
Synonyms:
MDL No:
Molecular Formula: C4H7NO
Molecular Weight: 85.1045

Identification/Properties


Properties
MP:
<-50 °C
BP:
164-165°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.403(lit.)
Solubility:
540g/l
Computed Properties
Molecular Weight:
85.106g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
85.053g/mol
Monoisotopic Mass:
85.053g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
61.2
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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