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116142-45-1 | 1-Octen-4-one, 1-(phenylseleno)-, (E)- (9CI)
CAS No: 116142-45-1 Catalog No: AG000BR9 MDL No:
Product Description
Catalog Number:
AG000BR9
Chemical Name:
1-Octen-4-one, 1-(phenylseleno)-, (E)- (9CI)
CAS Number:
116142-45-1
Molecular Formula:
C14H18OSe
Molecular Weight:
281.2521
IUPAC Name:
1-phenylselanyloct-1-en-4-one
InChI:
InChI=1S/C14H18OSe/c1-2-3-8-13(15)9-7-12-16-14-10-5-4-6-11-14/h4-7,10-12H,2-3,8-9H2,1H3
InChI Key:
NPVIIDDAGOJNQC-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C/C=C/[Se]c1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.268g/mol
Monoisotopic Mass:
282.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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