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114049-67-1 | Benzofuran, octahydro-2-[(phenylseleno)methyl]-
CAS No: 114049-67-1 Catalog No: AG000AEN MDL No:
Product Description
Catalog Number:
AG000AEN
Chemical Name:
Benzofuran, octahydro-2-[(phenylseleno)methyl]-
CAS Number:
114049-67-1
Molecular Formula:
C15H20OSe
Molecular Weight:
295.2787
IUPAC Name:
2-(phenylselanylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
InChI:
InChI=1S/C15H20OSe/c1-2-7-14(8-3-1)17-11-13-10-12-6-4-5-9-15(12)16-13/h1-3,7-8,12-13,15H,4-6,9-11H2
InChI Key:
MARMJCZKNUKENR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)[Se]CC1CC2C(O1)CCCC2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.295g/mol
Monoisotopic Mass:
296.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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