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101205-76-9 | Benzonitrile, 4-[(1E)-2-(4-methylphenyl)ethenyl]-
CAS No: 101205-76-9 Catalog No: AG0003YC MDL No:
Product Description
Catalog Number:
AG0003YC
Chemical Name:
Benzonitrile, 4-[(1E)-2-(4-methylphenyl)ethenyl]-
CAS Number:
101205-76-9
Molecular Formula:
C16H13N
Molecular Weight:
219.2811
IUPAC Name:
4-[2-(4-methylphenyl)ethenyl]benzonitrile
InChI:
InChI=1S/C16H13N/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h2-11H,1H3
InChI Key:
XDRQSWIHRYSNDY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)/C=C/c1ccc(cc1)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.287g/mol
Monoisotopic Mass:
219.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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