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831224-52-3 | 4H-1-Benzopyran-4-one, 3-hydroxy-6,8-diiodo-2-(4-methoxyphenyl)-
CAS No: 831224-52-3 Catalog No: AG005A8F MDL No:
Product Description
Catalog Number:
AG005A8F
Chemical Name:
4H-1-Benzopyran-4-one, 3-hydroxy-6,8-diiodo-2-(4-methoxyphenyl)-
CAS Number:
831224-52-3
Molecular Formula:
C16H10I2O4
Molecular Weight:
520.0571
IUPAC Name:
3-hydroxy-6,8-diiodo-2-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C16H10I2O4/c1-21-10-4-2-8(3-5-10)15-14(20)13(19)11-6-9(17)7-12(18)16(11)22-15/h2-7,20H,1H3
InChI Key:
AWKSRAXKQHUUQS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1oc2c(I)cc(cc2c(=O)c1O)I
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.867g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
520.061g/mol
Monoisotopic Mass:
519.867g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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