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5613-33-2 | 5-iodo-2,3-dimethylbenzoic acid
CAS No: 5613-33-2 Catalog No: AG01A0J0 MDL No:MFCD17276447
Product Description
Catalog Number:
AG01A0J0
Chemical Name:
5-iodo-2,3-dimethylbenzoic acid
CAS Number:
5613-33-2
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD17276447
IUPAC Name:
5-iodo-2,3-dimethylbenzoic acid
InChI:
InChI=1S/C9H9IO2/c1-5-3-7(10)4-8(6(5)2)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
TXXAODHCMYLXLB-UHFFFAOYSA-N
SMILES:
Ic1cc(C)c(c(c1)C(=O)O)C
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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