Home Nitriles 3-(4-methylphenyl)prop-2-enenitrile

3-(4-methylphenyl)prop-2-enenitrile

CAS No.:
35121-93-8
Catalog Number:
AG01BDII
Molecular Formula:
C10H9N
Molecular Weight:
143.1852
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Product Description
Catalog Number:
AG01BDII
Chemical Name:
3-(4-methylphenyl)prop-2-enenitrile
CAS Number:
35121-93-8
Molecular Formula:
C10H9N
Molecular Weight:
143.1852
MDL Number:
MFCD00019838
IUPAC Name:
3-(4-methylphenyl)prop-2-enenitrile
InChI:
InChI=1S/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3
InChI Key:
WHECQDVQLPVCRX-UHFFFAOYSA-N
SMILES:
N#CC=Cc1ccc(cc1)C
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.073g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.189g/mol
Monoisotopic Mass:
143.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.3  
Literature
Title Journal
(E)-2-({2-[(E)-(Hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-o-tolyl-acrylonitrile. Acta crystallographica. Section E, Structure reports online 20120201
Properties