2-Propenenitrile, 3-(4-methoxyphenyl)-


Chemical Name: 2-Propenenitrile, 3-(4-methoxyphenyl)-
CAS Number: 28446-68-6
Product Number: AG00BBRB(AGN-PC-0JKNN5)
Synonyms:
MDL No:
Molecular Formula: C10H9NO
Molecular Weight: 159.18456

Identification/Properties


Properties
MP:
50-55°C
BP:
127-140 °C1 mm Hg(lit.)
Storage:
2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.6131(lit.)
Computed Properties
Molecular Weight:
159.188g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
159.068g/mol
Monoisotopic Mass:
159.068g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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+H312+H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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