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189447-39-0 | Benzenepropanoic acid, 4-hydroxy-3,5-diiodo-, ethyl ester
CAS No: 189447-39-0 Catalog No: AG002DNS MDL No:MFCD23135357
Product Description
Catalog Number:
AG002DNS
Chemical Name:
Benzenepropanoic acid, 4-hydroxy-3,5-diiodo-, ethyl ester
CAS Number:
189447-39-0
Molecular Formula:
C11H12I2O3
Molecular Weight:
446.0201
MDL Number:
MFCD23135357
IUPAC Name:
ethyl 3-(4-hydroxy-3,5-diiodophenyl)propanoate
InChI:
InChI=1S/C11H12I2O3/c1-2-16-10(14)4-3-7-5-8(12)11(15)9(13)6-7/h5-6,15H,2-4H2,1H3
InChI Key:
HUQJJXQWPXUSAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1cc(I)c(c(c1)I)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.888g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.023g/mol
Monoisotopic Mass:
445.888g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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