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1261456-47-6 | Benzenepropanoic acid, 4-iodo-3-methyl-
CAS No: 1261456-47-6 Catalog No: AG000RS9 MDL No:MFCD18397917
Product Description
Catalog Number:
AG000RS9
Chemical Name:
Benzenepropanoic acid, 4-iodo-3-methyl-
CAS Number:
1261456-47-6
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
MDL Number:
MFCD18397917
IUPAC Name:
3-(4-iodo-3-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H11IO2/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChI Key:
PSMRVMGSLWDXEP-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)C)I
Properties
Complexity:
182
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:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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