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137376-11-5 | 9H-Fluorene-9,9-dipropanoic acid, 2,7-diiodo-
CAS No: 137376-11-5 Catalog No: AG001379 MDL No:
Product Description
Catalog Number:
AG001379
Chemical Name:
9H-Fluorene-9,9-dipropanoic acid, 2,7-diiodo-
CAS Number:
137376-11-5
Molecular Formula:
C19H16I2O4
Molecular Weight:
562.1369
IUPAC Name:
3-[9-(2-carboxyethyl)-2,7-diiodofluoren-9-yl]propanoic acid
InChI:
InChI=1S/C19H16I2O4/c20-11-1-3-13-14-4-2-12(21)10-16(14)19(15(13)9-11,7-5-17(22)23)8-6-18(24)25/h1-4,9-10H,5-8H2,(H,22,23)(H,24,25)
InChI Key:
YPMXCDFLUKRRBN-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1(CCC(=O)O)c2cc(I)ccc2c2c1cc(I)cc2
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.914g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
562.142g/mol
Monoisotopic Mass:
561.914g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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