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101713-87-5 | 4H-1-Benzopyran-4-one, 2,3-dihydro-8-iodo-
CAS No: 101713-87-5 Catalog No: AG0005AB MDL No:
Product Description
Catalog Number:
AG0005AB
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-8-iodo-
CAS Number:
101713-87-5
Molecular Formula:
C9H7IO2
Molecular Weight:
274.0552
IUPAC Name:
8-iodo-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H7IO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChI Key:
CEYSCNMVDXJFMW-UHFFFAOYSA-N
SMILES:
O=C1CCOc2c1cccc2I
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
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