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69169-84-2 | 9H-Xanthen-9-one, 3-hydroxy-4-iodo-
CAS No: 69169-84-2 Catalog No: AG006BWA MDL No:
Product Description
Catalog Number:
AG006BWA
Chemical Name:
9H-Xanthen-9-one, 3-hydroxy-4-iodo-
CAS Number:
69169-84-2
Molecular Formula:
C13H7IO3
Molecular Weight:
338.0973
IUPAC Name:
3-hydroxy-4-iodoxanthen-9-one
InChI:
InChI=1S/C13H7IO3/c14-11-9(15)6-5-8-12(16)7-3-1-2-4-10(7)17-13(8)11/h1-6,15H
InChI Key:
YYHQQBBXCQKJBX-UHFFFAOYSA-N
SMILES:
Ic1c(O)ccc2c1oc1ccccc1c2=O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.944g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.1g/mol
Monoisotopic Mass:
337.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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