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101714-35-6 | 4H-1-Benzopyran-4-one, 2,3-dihydro-6-iodo-
CAS No: 101714-35-6 Catalog No: AG0005B7 MDL No:MFCD01319018
Product Description
Catalog Number:
AG0005B7
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-6-iodo-
CAS Number:
101714-35-6
Molecular Formula:
C9H7IO2
Molecular Weight:
274.0551
MDL Number:
MFCD01319018
IUPAC Name:
6-iodo-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H7IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChI Key:
SDUOLEARZNZVAN-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)C(=O)CCO2
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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