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113021-30-0 | 1H-Inden-1-one,2,3-dihydro-2-iodo-
CAS No: 113021-30-0 Catalog No: AG007RGK MDL No:
Product Description
Catalog Number:
AG007RGK
Chemical Name:
1H-Inden-1-one,2,3-dihydro-2-iodo-
CAS Number:
113021-30-0
Molecular Formula:
C9H7IO
Molecular Weight:
258.0557
IUPAC Name:
2-iodo-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7IO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
InChI Key:
YYCUBXRVXPVFPC-UHFFFAOYSA-N
SMILES:
O=C1C(I)Cc2c1cccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.058g/mol
Monoisotopic Mass:
257.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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