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1391118-96-9 | 1H-Inden-1-one, 2,3-dihydro-4-iodo-7-methoxy-
CAS No: 1391118-96-9 Catalog No: AG001AAX MDL No:
Product Description
Catalog Number:
AG001AAX
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-4-iodo-7-methoxy-
CAS Number:
1391118-96-9
Molecular Formula:
C10H9IO2
Molecular Weight:
288.0817
IUPAC Name:
4-iodo-7-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9IO2/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3
InChI Key:
OCJBUXFIDXIPLZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=O)CC2)I
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.084g/mol
Monoisotopic Mass:
287.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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