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159646-51-2 | 1,1'-Biphenyl, 4-pentyl-4'-(4-pentyn-1-yloxy)-
CAS No: 159646-51-2 Catalog No: AG001R94 MDL No:
Product Description
Catalog Number:
AG001R94
Chemical Name:
1,1'-Biphenyl, 4-pentyl-4'-(4-pentyn-1-yloxy)-
CAS Number:
159646-51-2
Molecular Formula:
C22H26O
Molecular Weight:
306.4412
IUPAC Name:
1-pentyl-4-(4-pent-4-ynoxyphenyl)benzene
InChI:
InChI=1S/C22H26O/c1-3-5-7-9-19-10-12-20(13-11-19)21-14-16-22(17-15-21)23-18-8-6-4-2/h2,10-17H,3,5-9,18H2,1H3
InChI Key:
RDNBRDJMPPJSGQ-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ccc(cc1)OCCCC#C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.198g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.449g/mol
Monoisotopic Mass:
306.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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