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15126-09-7 | Benzoic acid, 4-hydroxy-3-iodo-, butyl ester
CAS No: 15126-09-7 Catalog No: AG001N7M MDL No:
Product Description
Catalog Number:
AG001N7M
Chemical Name:
Benzoic acid, 4-hydroxy-3-iodo-, butyl ester
CAS Number:
15126-09-7
Molecular Formula:
C11H13IO3
Molecular Weight:
320.1236
IUPAC Name:
butyl 4-hydroxy-3-iodobenzoate
InChI:
InChI=1S/C11H13IO3/c1-2-3-6-15-11(14)8-4-5-10(13)9(12)7-8/h4-5,7,13H,2-3,6H2,1H3
InChI Key:
LDGUZTFKHIQDJC-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccc(c(c1)I)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.126g/mol
Monoisotopic Mass:
319.991g/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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