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112463-78-2 | 2H-1-Benzopyran-2-one, 8-iodo-7-(2-propynyloxy)-
CAS No: 112463-78-2 Catalog No: AG007ATG MDL No:
Product Description
Catalog Number:
AG007ATG
Chemical Name:
2H-1-Benzopyran-2-one, 8-iodo-7-(2-propynyloxy)-
CAS Number:
112463-78-2
Molecular Formula:
C12H7IO3
Molecular Weight:
326.0866
IUPAC Name:
8-iodo-7-prop-2-ynoxychromen-2-one
InChI:
InChI=1S/C12H7IO3/c1-2-7-15-9-5-3-8-4-6-10(14)16-12(8)11(9)13/h1,3-6H,7H2
InChI Key:
AWVYZAMUJDGNGL-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc2c(c1I)oc(=O)cc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.944g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.089g/mol
Monoisotopic Mass:
325.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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