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34701-83-2 | 3-IODO-2,4,6-TRIMETHYLBENZOIC ACID
CAS No: 34701-83-2 Catalog No: AG01BPBY MDL No:MFCD24107208
Product Description
Catalog Number:
AG01BPBY
Chemical Name:
3-IODO-2,4,6-TRIMETHYLBENZOIC ACID
CAS Number:
34701-83-2
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
MDL Number:
MFCD24107208
IUPAC Name:
3-iodo-2,4,6-trimethylbenzoic acid
InChI:
InChI=1S/C10H11IO2/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4H,1-3H3,(H,12,13)
InChI Key:
XJMMPYLOVYSIHP-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc(c(c1C)I)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.1g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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