CAS 627-26-9 trans-Crotononitrile (contains ca. 20% cis- isomer)

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

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Catalog Number

ACM627269-2

CAS Number

627-26-9

Product Name

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

Structure

Category

Monomers

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

EC Number

225-335-1

Exact Mass

67.042199g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

2-butenenitrile;crotononitrile;crotononitrile, (E)-isomer;crotononitrile, (Z)-isomer

Monoisotopic Mass

67.042199g/mol

Rotatable Bond Count

UN Number

2924

Vapor Pressure

31.95 mmHg

XLogP3

0.8

MSDS

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COA

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Spec Sheet

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