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15126-06-4 | Benzoic acid, 4-hydroxy-3-iodo-, methyl ester
CAS No: 15126-06-4 Catalog No: AG001N7P MDL No:MFCD05664378
Product Description
Catalog Number:
AG001N7P
Chemical Name:
Benzoic acid, 4-hydroxy-3-iodo-, methyl ester
CAS Number:
15126-06-4
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0439
MDL Number:
MFCD05664378
IUPAC Name:
methyl 4-hydroxy-3-iodobenzoate
InChI:
InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChI Key:
PXNOLLHARLSLHY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)I)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.045g/mol
Monoisotopic Mass:
277.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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