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162870-36-2 | Benzene, 1,1',1''-[[3-(hexadecyloxy)-2-methoxypropoxy]methylidyne]tris-
CAS No: 162870-36-2 Catalog No: AG001TIO MDL No:MFCD16876762
Product Description
Catalog Number:
AG001TIO
Chemical Name:
Benzene, 1,1',1''-[[3-(hexadecyloxy)-2-methoxypropoxy]methylidyne]tris-
CAS Number:
162870-36-2
Molecular Formula:
C39H56O3
Molecular Weight:
572.8601
MDL Number:
MFCD16876762
IUPAC Name:
[(3-hexadecoxy-2-methoxypropoxy)-diphenylmethyl]benzene
InChI:
InChI=1S/C39H56O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32-41-33-38(40-2)34-42-39(35-26-19-16-20-27-35,36-28-21-17-22-29-36)37-30-23-18-24-31-37/h16-24,26-31,38H,3-15,25,32-34H2,1-2H3
InChI Key:
HCJINDBBYTZKEV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
572.423g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
572.874g/mol
Monoisotopic Mass:
572.423g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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