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649551-70-2 | 4H-1-Benzopyran-4-one, 3-hydroxy-7-iodo-2-(3,4,5-trimethoxyphenyl)-
CAS No: 649551-70-2 Catalog No: AG00H863 MDL No:
Product Description
Catalog Number:
AG00H863
Chemical Name:
4H-1-Benzopyran-4-one, 3-hydroxy-7-iodo-2-(3,4,5-trimethoxyphenyl)-
CAS Number:
649551-70-2
Molecular Formula:
C18H15IO6
Molecular Weight:
454.2126
IUPAC Name:
3-hydroxy-7-iodo-2-(3,4,5-trimethoxyphenyl)chromen-4-one
InChI:
InChI=1S/C18H15IO6/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-5-4-10(19)8-12(11)25-17/h4-8,21H,1-3H3
InChI Key:
VGVQTGFTHUJKSF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1oc2cc(I)ccc2c(=O)c1O
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.991g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.216g/mol
Monoisotopic Mass:
453.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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