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33994-46-6 | Benzeneacetic acid, 2-iodo-alpha-methyl-
CAS No: 33994-46-6 Catalog No: AG01FC4H MDL No:
Product Description
Catalog Number:
AG01FC4H
Chemical Name:
Benzeneacetic acid, 2-iodo-alpha-methyl-
CAS Number:
33994-46-6
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
IUPAC Name:
2-(2-iodophenyl)propanoic acid
InChI:
InChI=1S/C9H9IO2/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-6H,1H3,(H,11,12)
InChI Key:
OFUOBAZZBYMDPG-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1I)C
Properties
Complexity:
170
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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