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144582-83-2 | Propanedinitrile, 2-(5-phenyl-4-pentyn-1-yl)-
CAS No: 144582-83-2 Catalog No: AG001JRZ MDL No:
Product Description
Catalog Number:
AG001JRZ
Chemical Name:
Propanedinitrile, 2-(5-phenyl-4-pentyn-1-yl)-
CAS Number:
144582-83-2
Molecular Formula:
C14H12N2
Molecular Weight:
208.2585
IUPAC Name:
2-(5-phenylpent-4-ynyl)propanedinitrile
InChI:
InChI=1S/C14H12N2/c15-11-14(12-16)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,6,10H2
InChI Key:
PBDIKNDVPFUEDL-UHFFFAOYSA-N
SMILES:
N#CC(C#N)CCCC#Cc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.264g/mol
Monoisotopic Mass:
208.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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