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404384-36-7 | 3H-Xanthen-3-one, 2,4-diiodo-6-(pentyloxy)-
CAS No: 404384-36-7 Catalog No: AG0072TN MDL No:
Product Description
Catalog Number:
AG0072TN
Chemical Name:
3H-Xanthen-3-one, 2,4-diiodo-6-(pentyloxy)-
CAS Number:
404384-36-7
Molecular Formula:
C18H16I2O3
Molecular Weight:
534.1268
IUPAC Name:
2,4-diiodo-6-pentoxyxanthen-3-one
InChI:
InChI=1S/C18H16I2O3/c1-2-3-4-7-22-13-6-5-11-8-12-9-14(19)17(21)16(20)18(12)23-15(11)10-13/h5-6,8-10H,2-4,7H2,1H3
InChI Key:
WJKPOZIXYMOSJD-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc2c(c1)oc1c(c2)cc(c(=O)c1I)I
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.919g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.132g/mol
Monoisotopic Mass:
533.919g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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