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6083-00-7 | 2-hydroxy-3-iodo-5-methylbenzoic acid
CAS No: 6083-00-7 Catalog No: AG01ELCH MDL No:
Product Description
Catalog Number:
AG01ELCH
Chemical Name:
2-hydroxy-3-iodo-5-methylbenzoic acid
CAS Number:
6083-00-7
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0438
IUPAC Name:
2-hydroxy-3-iodo-5-methylbenzoic acid
InChI:
InChI=1S/C8H7IO3/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,10H,1H3,(H,11,12)
InChI Key:
NDSWWULHQGWUQT-UHFFFAOYSA-N
SMILES:
Cc1cc(I)c(c(c1)C(=O)O)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:
4.3
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