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Home > Other Heterocycles > 820963-16-4
820963-16-4 | Bicyclo[4.2.0]oct-7-en-2-one, 7-phenyl-8-[(phenylmethyl)seleno]-
CAS No: 820963-16-4 Catalog No: AG005C5B MDL No:
Product Description
Catalog Number:
AG005C5B
Chemical Name:
Bicyclo[4.2.0]oct-7-en-2-one, 7-phenyl-8-[(phenylmethyl)seleno]-
CAS Number:
820963-16-4
Molecular Formula:
C21H20OSe
Molecular Weight:
367.3429
IUPAC Name:
8-benzylselanyl-7-phenylbicyclo[4.2.0]oct-7-en-2-one
InChI:
InChI=1S/C21H20OSe/c22-18-13-7-12-17-19(16-10-5-2-6-11-16)21(20(17)18)23-14-15-8-3-1-4-9-15/h1-6,8-11,17,20H,7,12-14H2
InChI Key:
IMAVQPXONQQTIR-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C1C(=C2c1ccccc1)[Se]Cc1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.361g/mol
Monoisotopic Mass:
368.068g/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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