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14092-44-5 | 2-Propenoic acid, 2,3,3-triiodo-
CAS No: 14092-44-5 Catalog No: AG001FN7 MDL No:
Product Description
Catalog Number:
AG001FN7
Chemical Name:
2-Propenoic acid, 2,3,3-triiodo-
CAS Number:
14092-44-5
Molecular Formula:
C3HI3O2
Molecular Weight:
449.7522
IUPAC Name:
2,3,3-triiodoprop-2-enoic acid
InChI:
InChI=1S/C3HI3O2/c4-1(2(5)6)3(7)8/h(H,7,8)
InChI Key:
NZLNBGMVMJKWDS-UHFFFAOYSA-N
SMILES:
IC(=C(C(=O)O)I)I
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.711g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.752g/mol
Monoisotopic Mass:
449.711g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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