2-Furanacrylonitrile, (E)- manufacturers and suppliers on PharmaCompass

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Also known as: 3-(furan-2-yl)prop-2-enenitrile, (e)-3-(furan-2-yl)acrylonitrile, Furanacrylonitrile, (2e)-3-(furan-2-yl)prop-2-enenitrile, Schembl247148, Dtxsid50871186
Molecular Formula
C7H5NO
Molecular Weight
119.12  g/mol
InChI Key
ZHKAQNFBQHPERX-UHFFFAOYSA-N

2-Furanacrylonitrile, (E)-
1 2D Structure

2-Furanacrylonitrile, (E)-

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(furan-2-yl)prop-2-enenitrile
2.1.2 InChI
InChI=1S/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H
2.1.3 InChI Key
ZHKAQNFBQHPERX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=COC(=C1)C=CC#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3-(furan-2-yl)prop-2-enenitrile

2. (e)-3-(furan-2-yl)acrylonitrile

3. Furanacrylonitrile

4. (2e)-3-(furan-2-yl)prop-2-enenitrile

5. Schembl247148

6. Dtxsid50871186

7. Zhkaqnfbqhperx-uhfffaoysa-n

8. Sb61038

9. Db-055580

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 119.12 g/mol
Molecular Formula C7H5NO
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area36.9
Heavy Atom Count9
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count1

BUILDING BLOCK

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