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137627-87-3 | 5-Hexen-2-one, 6-(phenylseleno)-, (E)- (9CI)
CAS No: 137627-87-3 Catalog No: AG0013N1 MDL No:
Product Description
Catalog Number:
AG0013N1
Chemical Name:
5-Hexen-2-one, 6-(phenylseleno)-, (E)- (9CI)
CAS Number:
137627-87-3
Molecular Formula:
C12H14OSe
Molecular Weight:
253.1990
IUPAC Name:
6-phenylselanylhex-5-en-2-one
InChI:
InChI=1S/C12H14OSe/c1-11(13)7-5-6-10-14-12-8-3-2-4-9-12/h2-4,6,8-10H,5,7H2,1H3
InChI Key:
YMJMRUZKMUVIJN-UHFFFAOYSA-N
SMILES:
CC(=O)CC/C=C/[Se]c1ccccc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.214g/mol
Monoisotopic Mass:
254.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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