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137376-12-6 | 9H-Fluorene-9,9-dipropanoic acid, 2,7-diiodo-, 9,9-dimethyl ester
CAS No: 137376-12-6 Catalog No: AG001378 MDL No:
Product Description
Catalog Number:
AG001378
Chemical Name:
9H-Fluorene-9,9-dipropanoic acid, 2,7-diiodo-, 9,9-dimethyl ester
CAS Number:
137376-12-6
Molecular Formula:
C21H20I2O4
Molecular Weight:
590.1900
IUPAC Name:
methyl 3-[2,7-diiodo-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate
InChI:
InChI=1S/C21H20I2O4/c1-26-19(24)7-9-21(10-8-20(25)27-2)17-11-13(22)3-5-15(17)16-6-4-14(23)12-18(16)21/h3-6,11-12H,7-10H2,1-2H3
InChI Key:
AYFNGXWFZCZWIE-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1(CCC(=O)OC)c2cc(I)ccc2c2c1cc(I)cc2
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
589.945g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
590.196g/mol
Monoisotopic Mass:
589.945g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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