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90500-13-3 | 2-iodosyl-5-methylbenzoic acid
CAS No: 90500-13-3 Catalog No: AG018TCW MDL No:MFCD00835175
Product Description
Catalog Number:
AG018TCW
Chemical Name:
2-iodosyl-5-methylbenzoic acid
CAS Number:
90500-13-3
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0438
MDL Number:
MFCD00835175
IUPAC Name:
2-iodosyl-5-methylbenzoic acid
InChI:
InChI=1S/C8H7IO3/c1-5-2-3-7(9-12)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
HKUFNIJAUHAKKB-UHFFFAOYSA-N
SMILES:
O=[I]c1ccc(cc1C(=O)O)C
Properties
Complexity:
193
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:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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