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128651-99-0 | 6-iodochroman-2-one
CAS No: 128651-99-0 Catalog No: AG009YQA MDL No:MFCD17215732
Product Description
Catalog Number:
AG009YQA
Chemical Name:
6-iodochroman-2-one
CAS Number:
128651-99-0
Molecular Formula:
C9H7IO2
Molecular Weight:
274.0552
MDL Number:
MFCD17215732
IUPAC Name:
6-iodo-3,4-dihydrochromen-2-one
InChI:
InChI=1S/C9H7IO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2
InChI Key:
GJDAECCFFXUUEZ-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(O1)ccc(c2)I
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.057g/mol
Monoisotopic Mass:
273.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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