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117638-42-3 | 9,10-Anthracenedione, 1-hydroxy-2-iodo-
CAS No: 117638-42-3 Catalog No: AG000HKM MDL No:
Product Description
Catalog Number:
AG000HKM
Chemical Name:
9,10-Anthracenedione, 1-hydroxy-2-iodo-
CAS Number:
117638-42-3
Molecular Formula:
C14H7IO3
Molecular Weight:
350.1080
IUPAC Name:
1-hydroxy-2-iodoanthracene-9,10-dione
InChI:
InChI=1S/C14H7IO3/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,18H
InChI Key:
PQJFLQZGQLRSCJ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1ccc(c2O)I
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.944g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.111g/mol
Monoisotopic Mass:
349.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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