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80810-27-1 | Benzene, 1-(4-iodobutyl)-2,3,4,5-tetramethoxy-6-methyl-
CAS No: 80810-27-1 Catalog No: AG005J0W MDL No:
Product Description
Catalog Number:
AG005J0W
Chemical Name:
Benzene, 1-(4-iodobutyl)-2,3,4,5-tetramethoxy-6-methyl-
CAS Number:
80810-27-1
Molecular Formula:
C15H23IO4
Molecular Weight:
394.2452
IUPAC Name:
1-(4-iodobutyl)-2,3,4,5-tetramethoxy-6-methylbenzene
InChI:
InChI=1S/C15H23IO4/c1-10-11(8-6-7-9-16)13(18-3)15(20-5)14(19-4)12(10)17-2/h6-9H2,1-5H3
InChI Key:
DRENQVRREOENIX-UHFFFAOYSA-N
SMILES:
ICCCCc1c(C)c(OC)c(c(c1OC)OC)OC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.249g/mol
Monoisotopic Mass:
394.064g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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