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137626-28-9 | Benzene, [[1-methyl-3-[[1-(2-propen-1-yl)heptyl]oxy]butoxy]methyl]-
CAS No: 137626-28-9 Catalog No: AG0013N3 MDL No:
Product Description
Catalog Number:
AG0013N3
Chemical Name:
Benzene, [[1-methyl-3-[[1-(2-propen-1-yl)heptyl]oxy]butoxy]methyl]-
CAS Number:
137626-28-9
Molecular Formula:
C22H36O2
Molecular Weight:
332.5200
IUPAC Name:
4-dec-1-en-4-yloxypentan-2-yloxymethylbenzene
InChI:
InChI=1S/C22H36O2/c1-5-7-8-12-16-22(13-6-2)24-20(4)17-19(3)23-18-21-14-10-9-11-15-21/h6,9-11,14-15,19-20,22H,2,5,7-8,12-13,16-18H2,1,3-4H3
InChI Key:
WVRGUHHHDYMDAR-UHFFFAOYSA-N
SMILES:
C=CCC(OC(CC(OCc1ccccc1)C)C)CCCCCC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.272g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.528g/mol
Monoisotopic Mass:
332.272g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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