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71906-91-7 | 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-iodophenyl)-
CAS No: 71906-91-7 Catalog No: AG005F05 MDL No:
Product Description
Catalog Number:
AG005F05
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-iodophenyl)-
CAS Number:
71906-91-7
Molecular Formula:
C15H11IO2
Molecular Weight:
350.1511
IUPAC Name:
2-(4-iodophenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C15H11IO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2
InChI Key:
PLYYYQFSLRYNFL-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C1CC(=O)c2c(O1)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.98g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.155g/mol
Monoisotopic Mass:
349.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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