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160094-48-4 | Benzene, 1-(dodecyloxy)-4-[4-(4-methoxyphenyl)-1,3-butadiynyl]- (9CI)
CAS No: 160094-48-4 Catalog No: AG001RNM MDL No:
Product Description
Catalog Number:
AG001RNM
Chemical Name:
Benzene, 1-(dodecyloxy)-4-[4-(4-methoxyphenyl)-1,3-butadiynyl]- (9CI)
CAS Number:
160094-48-4
Molecular Formula:
C29H36O2
Molecular Weight:
416.5949
IUPAC Name:
1-dodecoxy-4-[4-(4-methoxyphenyl)buta-1,3-diynyl]benzene
InChI:
InChI=1S/C29H36O2/c1-3-4-5-6-7-8-9-10-11-14-25-31-29-23-19-27(20-24-29)16-13-12-15-26-17-21-28(30-2)22-18-26/h17-24H,3-11,14,25H2,1-2H3
InChI Key:
LLKVDSNGTGUPNP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)C#CC#Cc1ccc(cc1)OC
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.272g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.605g/mol
Monoisotopic Mass:
416.272g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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