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71925-39-8 | 1,4-Methanonaphthalen-2(1H)-one, 3,4-dihydro-8-iodo-
CAS No: 71925-39-8 Catalog No: AG0061G2 MDL No:
Product Description
Catalog Number:
AG0061G2
Chemical Name:
1,4-Methanonaphthalen-2(1H)-one, 3,4-dihydro-8-iodo-
CAS Number:
71925-39-8
Molecular Formula:
C11H9IO
Molecular Weight:
284.0930
IUPAC Name:
6-iodotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-one
InChI:
InChI=1S/C11H9IO/c12-9-3-1-2-7-6-4-8(11(7)9)10(13)5-6/h1-3,6,8H,4-5H2
InChI Key:
RGSWSFVNYICWDN-UHFFFAOYSA-N
SMILES:
O=C1CC2CC1c1c2cccc1I
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.096g/mol
Monoisotopic Mass:
283.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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