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88503-26-8 | 3(2H)-Benzofuranone, 7-iodo-4,6-dimethoxy-2-(phenylmethylene)-
CAS No: 88503-26-8 Catalog No: AG0049D4 MDL No:
Product Description
Catalog Number:
AG0049D4
Chemical Name:
3(2H)-Benzofuranone, 7-iodo-4,6-dimethoxy-2-(phenylmethylene)-
CAS Number:
88503-26-8
Molecular Formula:
C17H13IO4
Molecular Weight:
408.1872
IUPAC Name:
2-benzylidene-7-iodo-4,6-dimethoxy-1-benzofuran-3-one
InChI:
InChI=1S/C17H13IO4/c1-20-11-9-12(21-2)15(18)17-14(11)16(19)13(22-17)8-10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
QWYAGJMCBIKYLF-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c2c1C(=O)C(=Cc1ccccc1)O2)I
Properties
Complexity:
444
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:
1
XLogP3:
4.2
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