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1804205-48-8 | Benzenepropanoic acid, 3,5-diiodo-
CAS No: 1804205-48-8 Catalog No: AG0021Z6 MDL No:
Product Description
Catalog Number:
AG0021Z6
Chemical Name:
Benzenepropanoic acid, 3,5-diiodo-
CAS Number:
1804205-48-8
Molecular Formula:
C9H8I2O2
Molecular Weight:
401.9676
IUPAC Name:
2-(3,5-diiodophenyl)propanoic acid
InChI:
InChI=1S/C9H8I2O2/c1-5(9(12)13)6-2-7(10)4-8(11)3-6/h2-5H,1H3,(H,12,13)
InChI Key:
CVNIILPFMYVQNL-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(I)cc(c1)I
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.861g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.97g/mol
Monoisotopic Mass:
401.861g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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