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trans-Crotononitrile (contains ca. 20% cis- isomer)

Catalog NumberACM627269-2

CAS Number627-26-9

CategoryMonomers

trans-Crotononitrile (contains ca. 20% cis- isomer)
IUPAC Name
(E)-but-2-enenitrile
Molecular Weight
67.09g/mol
Molecular Formula
C4H5N
Canonical SMILES
CC=CC#N
InChI
InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
InChI Key
NKKMVIVFRUYPLQ-NSCUHMNNSA-N
Boiling Point
120.25 °C
Melting Point
-51.5 °C
Solubility
0.37 M
Complexity
72.9
Covalently-Bonded Unit Count
1
EC Number
225-335-1
Exact Mass
67.042199g/mol
Formal Charge
0
Heavy Atom Count
5
MeSH Entry Terms
2-butenenitrile;crotononitrile;crotononitrile, (E)-isomer;crotononitrile, (Z)-isomer
Monoisotopic Mass
67.042199g/mol
Rotatable Bond Count
0
UN Number
2924
Vapor Pressure
31.95 mmHg
XLogP3
0.8
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