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113485-72-6 | Benzene, [[[1-[(hexadecyloxy)methyl]-2-propen-1-yl]oxy]methyl]-
CAS No: 113485-72-6 Catalog No: AG0008Q1 MDL No:
Product Description
Catalog Number:
AG0008Q1
Chemical Name:
Benzene, [[[1-[(hexadecyloxy)methyl]-2-propen-1-yl]oxy]methyl]-
CAS Number:
113485-72-6
Molecular Formula:
C27H46O2
Molecular Weight:
402.6529
IUPAC Name:
1-hexadecoxybut-3-en-2-yloxymethylbenzene
InChI:
InChI=1S/C27H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-25-27(4-2)29-24-26-21-18-17-19-22-26/h4,17-19,21-22,27H,2-3,5-16,20,23-25H2,1H3
InChI Key:
KFZBATGHHBEZKM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(OCc1ccccc1)C=C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.35g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.663g/mol
Monoisotopic Mass:
402.35g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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