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201810-63-1 | 4-Hydroxy-5-iodo-2-methyl-benzoic acid
CAS No: 201810-63-1 Catalog No: AG01FCTI MDL No:
Product Description
Catalog Number:
AG01FCTI
Chemical Name:
4-Hydroxy-5-iodo-2-methyl-benzoic acid
CAS Number:
201810-63-1
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0438
IUPAC Name:
4-hydroxy-5-iodo-2-methylbenzoic acid
InChI:
InChI=1S/C8H7IO3/c1-4-2-7(10)6(9)3-5(4)8(11)12/h2-3,10H,1H3,(H,11,12)
InChI Key:
XBEORXBAJZOYJF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c(cc1C)O
Properties
Complexity:
183
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:
2
Isotope Atom Count:
0
Molecular Weight:
278.045g/mol
Monoisotopic Mass:
277.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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