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123278-08-0 | Benzoic acid, 3-iodo-2,6-diMethyl-
CAS No: 123278-08-0 Catalog No: AG009WDD MDL No:
Product Description
Catalog Number:
AG009WDD
Chemical Name:
Benzoic acid, 3-iodo-2,6-diMethyl-
CAS Number:
123278-08-0
IUPAC Name:
3-iodo-2,6-dimethylbenzoic acid
InChI:
InChI=1S/C9H9IO2/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
IISIKUKOZQFKSW-UHFFFAOYSA-N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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