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832684-64-7 | 3-ETHOXY-4-(2-ETHOXY-2-OXOETHOXY)-5-IODOBENZOIC ACID
CAS No: 832684-64-7 Catalog No: AG01AO5D MDL No:MFCD06628661
Product Description
Catalog Number:
AG01AO5D
Chemical Name:
3-ETHOXY-4-(2-ETHOXY-2-OXOETHOXY)-5-IODOBENZOIC ACID
CAS Number:
832684-64-7
Molecular Formula:
C13H15IO6
Molecular Weight:
394.1591
MDL Number:
MFCD06628661
IUPAC Name:
3-ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid
InChI:
InChI=1S/C13H15IO6/c1-3-18-10-6-8(13(16)17)5-9(14)12(10)20-7-11(15)19-4-2/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChI Key:
XVWSRKXGUVIUBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1c(I)cc(cc1OCC)C(=O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.991g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.161g/mol
Monoisotopic Mass:
393.991g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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