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82517-07-5 | 4H-1-Benzopyran-4-one, 3-iodo-7-methoxy-2-(4-methoxyphenyl)-
CAS No: 82517-07-5 Catalog No: AG004UIJ MDL No:
Product Description
Catalog Number:
AG004UIJ
Chemical Name:
4H-1-Benzopyran-4-one, 3-iodo-7-methoxy-2-(4-methoxyphenyl)-
CAS Number:
82517-07-5
Molecular Formula:
C17H13IO4
Molecular Weight:
408.1872
IUPAC Name:
3-iodo-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C17H13IO4/c1-20-11-5-3-10(4-6-11)17-15(18)16(19)13-8-7-12(21-2)9-14(13)22-17/h3-9H,1-2H3
InChI Key:
JDWMWRXXLHBRQI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1oc2cc(OC)ccc2c(=O)c1I
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.986g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.191g/mol
Monoisotopic Mass:
407.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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