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Home > Other Heterocycles > 820963-19-7
820963-19-7 | Bicyclo[4.2.0]oct-7-en-2-one, 7-phenyl-8-(propylseleno)-
CAS No: 820963-19-7 Catalog No: AG004X1V MDL No:
Product Description
Catalog Number:
AG004X1V
Chemical Name:
Bicyclo[4.2.0]oct-7-en-2-one, 7-phenyl-8-(propylseleno)-
CAS Number:
820963-19-7
Molecular Formula:
C17H20OSe
Molecular Weight:
319.3001
IUPAC Name:
7-phenyl-8-propylselanylbicyclo[4.2.0]oct-7-en-2-one
InChI:
InChI=1S/C17H20OSe/c1-2-11-19-17-15(12-7-4-3-5-8-12)13-9-6-10-14(18)16(13)17/h3-5,7-8,13,16H,2,6,9-11H2,1H3
InChI Key:
ZFPTWQBJBNFAES-UHFFFAOYSA-N
SMILES:
CCC[Se]C1=C(C2C1C(=O)CCC2)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.317g/mol
Monoisotopic Mass:
320.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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