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83805-64-5 | 4H-1-Benzopyran-4-one, 7-hydroxy-8-iodo-5-methoxy-2-methyl-
CAS No: 83805-64-5 Catalog No: AG00558L MDL No:
Product Description
Catalog Number:
AG00558L
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-8-iodo-5-methoxy-2-methyl-
CAS Number:
83805-64-5
Molecular Formula:
C11H9IO4
Molecular Weight:
332.0912
IUPAC Name:
7-hydroxy-8-iodo-5-methoxy-2-methylchromen-4-one
InChI:
InChI=1S/C11H9IO4/c1-5-3-6(13)9-8(15-2)4-7(14)10(12)11(9)16-5/h3-4,14H,1-2H3
InChI Key:
OJPAOZGLBALOMW-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(c2c1c(=O)cc(o2)C)I
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.955g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.093g/mol
Monoisotopic Mass:
331.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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