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823227-95-8 | Benzonitrile, 2-(3-decene-1,5-diynyl)-
CAS No: 823227-95-8 Catalog No: AG004YRY MDL No:
Product Description
Catalog Number:
AG004YRY
Chemical Name:
Benzonitrile, 2-(3-decene-1,5-diynyl)-
CAS Number:
823227-95-8
Molecular Formula:
C17H15N
Molecular Weight:
233.3077
IUPAC Name:
2-dec-3-en-1,5-diynylbenzonitrile
InChI:
InChI=1S/C17H15N/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15-18/h7-8,10-11,13-14H,2-4H2,1H3
InChI Key:
HNWZMUGWUMLYDG-UHFFFAOYSA-N
SMILES:
CCCCC#CC=CC#Cc1ccccc1C#N
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.314g/mol
Monoisotopic Mass:
233.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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