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15126-08-6 | Benzoic acid, 4-hydroxy-3-iodo-, propyl ester
CAS No: 15126-08-6 Catalog No: AG001N7N MDL No:
Product Description
Catalog Number:
AG001N7N
Chemical Name:
Benzoic acid, 4-hydroxy-3-iodo-, propyl ester
CAS Number:
15126-08-6
Molecular Formula:
C10H11IO3
Molecular Weight:
306.0970
IUPAC Name:
propyl 4-hydroxy-3-iodobenzoate
InChI:
InChI=1S/C10H11IO3/c1-2-5-14-10(13)7-3-4-9(12)8(11)6-7/h3-4,6,12H,2,5H2,1H3
InChI Key:
GEFATVANQYOXLC-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccc(c(c1)I)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.975g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.099g/mol
Monoisotopic Mass:
305.975g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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