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552-22-7 | THYMOL IODIDE
CAS No: 552-22-7 Catalog No: AG00DEQ0 MDL No:MFCD00026409
Product Description
Catalog Number:
AG00DEQ0
Chemical Name:
THYMOL IODIDE
CAS Number:
552-22-7
Molecular Formula:
C20H24I2O2
Molecular Weight:
550.2123
MDL Number:
MFCD00026409
IUPAC Name:
[4-(4-iodooxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-2-propan-2-ylphenyl] hypoiodite
InChI:
InChI=1S/C20H24I2O2/c1-11(2)15-9-17(13(5)7-19(15)23-21)18-10-16(12(3)4)20(24-22)8-14(18)6/h7-12H,1-6H3
InChI Key:
SHOKWSLXDAIZPP-UHFFFAOYSA-N
SMILES:
IOc1cc(C)c(cc1C(C)C)c1cc(C(C)C)c(cc1C)OI
EC Number:
209-007-5
UNII:
A51HJM3XSU
NSC Number:
2222
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.987g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.219g/mol
Monoisotopic Mass:
549.987g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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