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88159-63-1 | Benzonitrile, 4-(6-hexyl-7,8-dihydro-2-naphthalenyl)-
CAS No: 88159-63-1 Catalog No: AG004FZO MDL No:
Product Description
Catalog Number:
AG004FZO
Chemical Name:
Benzonitrile, 4-(6-hexyl-7,8-dihydro-2-naphthalenyl)-
CAS Number:
88159-63-1
Molecular Formula:
C23H25N
Molecular Weight:
315.4513
IUPAC Name:
4-(6-hexyl-7,8-dihydronaphthalen-2-yl)benzonitrile
InChI:
InChI=1S/C23H25N/c1-2-3-4-5-6-18-7-12-23-16-22(14-13-21(23)15-18)20-10-8-19(17-24)9-11-20/h8-11,13-16H,2-7,12H2,1H3
InChI Key:
HRGWLBTYLCQCGH-UHFFFAOYSA-N
SMILES:
CCCCCCC1=Cc2c(CC1)cc(cc2)c1ccc(cc1)C#N
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.199g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.46g/mol
Monoisotopic Mass:
315.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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