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53404-04-9 | Octylphenoxy polyethoxy ethanol - iodine complex
CAS No: 53404-04-9 Catalog No: AG00E3JD MDL No:
Product Description
Catalog Number:
AG00E3JD
Chemical Name:
Octylphenoxy polyethoxy ethanol - iodine complex
CAS Number:
53404-04-9
IUPAC Name:
molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
InChI:
InChI=1S/C16H26O2.I2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17;1-2/h6-9,17H,10-12H2,1-5H3;
InChI Key:
SNMLPSPMDTYWBX-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.002g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
504.191g/mol
Monoisotopic Mass:
504.002g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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