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820963-12-0 | 1-Propanone, 1-[3-phenyl-2-[(phenylmethyl)seleno]-2-cyclobuten-1-yl]-
CAS No: 820963-12-0 Catalog No: AG005C5C MDL No:
Product Description
Catalog Number:
AG005C5C
Chemical Name:
1-Propanone, 1-[3-phenyl-2-[(phenylmethyl)seleno]-2-cyclobuten-1-yl]-
CAS Number:
820963-12-0
Molecular Formula:
C20H20OSe
Molecular Weight:
355.3322
IUPAC Name:
1-(2-benzylselanyl-3-phenylcyclobut-2-en-1-yl)propan-1-one
InChI:
InChI=1S/C20H20OSe/c1-2-19(21)18-13-17(16-11-7-4-8-12-16)20(18)22-14-15-9-5-3-6-10-15/h3-12,18H,2,13-14H2,1H3
InChI Key:
YXSATDUTIBOALJ-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CC(=C1[Se]Cc1ccccc1)c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.35g/mol
Monoisotopic Mass:
356.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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