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38577-97-8 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-4',5'-diiodo-
CAS No: 38577-97-8 Catalog No: AG00C78O MDL No:
Product Description
Catalog Number:
AG00C78O
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-dihydroxy-4',5'-diiodo-
CAS Number:
38577-97-8
IUPAC Name:
3',6'-dihydroxy-4',5'-diiodospiro[2-benzofuran-3,9'-xanthene]-1-one
InChI:
InChI=1S/C20H10I2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChI Key:
DSVUBXQDJGJGIC-UHFFFAOYSA-N
EC Number:
254-010-7
UNII:
OO2GYZ1574
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
583.862g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
584.104g/mol
Monoisotopic Mass:
583.862g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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