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15126-07-5 | Benzoic acid, 4-hydroxy-3-iodo-, ethyl ester
CAS No: 15126-07-5 Catalog No: AG001N7O MDL No:
Product Description
Catalog Number:
AG001N7O
Chemical Name:
Benzoic acid, 4-hydroxy-3-iodo-, ethyl ester
CAS Number:
15126-07-5
Molecular Formula:
C9H9IO3
Molecular Weight:
292.0704
IUPAC Name:
ethyl 4-hydroxy-3-iodobenzoate
InChI:
InChI=1S/C9H9IO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2H2,1H3
InChI Key:
HOAXKZYYZXASLJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)I)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.072g/mol
Monoisotopic Mass:
291.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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