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820964-92-9 | 1,3-Benzenedibutanenitrile, 2-ethenyl-
CAS No: 820964-92-9 Catalog No: AG005BXX MDL No:
Product Description
Catalog Number:
AG005BXX
Chemical Name:
1,3-Benzenedibutanenitrile, 2-ethenyl-
CAS Number:
820964-92-9
Molecular Formula:
C16H18N2
Molecular Weight:
238.3275
IUPAC Name:
4-[3-(3-cyanopropyl)-2-ethenylphenyl]butanenitrile
InChI:
InChI=1S/C16H18N2/c1-2-16-14(8-3-5-12-17)10-7-11-15(16)9-4-6-13-18/h2,7,10-11H,1,3-6,8-9H2
InChI Key:
HSPQRQLLAZGLKR-UHFFFAOYSA-N
SMILES:
C=Cc1c(CCCC#N)cccc1CCCC#N
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.334g/mol
Monoisotopic Mass:
238.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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