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104311-20-8 | 2H-1-Benzopyran-2-one, 7-[(1,1-dimethyl-2-propenyl)oxy]-8-iodo-
CAS No: 104311-20-8 Catalog No: AG007I57 MDL No:
Product Description
Catalog Number:
AG007I57
Chemical Name:
2H-1-Benzopyran-2-one, 7-[(1,1-dimethyl-2-propenyl)oxy]-8-iodo-
CAS Number:
104311-20-8
Molecular Formula:
C14H13IO3
Molecular Weight:
356.1557
IUPAC Name:
8-iodo-7-(2-methylbut-3-en-2-yloxy)chromen-2-one
InChI:
InChI=1S/C14H13IO3/c1-4-14(2,3)18-10-7-5-9-6-8-11(16)17-13(9)12(10)15/h4-8H,1H2,2-3H3
InChI Key:
KEFPCIVHQOAYJG-UHFFFAOYSA-N
SMILES:
C=CC(Oc1ccc2c(c1I)oc(=O)cc2)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.991g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.159g/mol
Monoisotopic Mass:
355.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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