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114092-06-7 | 6-Nonen-2-one, 9-[(4-chlorophenyl)sulfonyl]-, (E)- (9CI)
CAS No: 114092-06-7 Catalog No: AG000AJQ MDL No:
Product Description
Catalog Number:
AG000AJQ
Chemical Name:
6-Nonen-2-one, 9-[(4-chlorophenyl)sulfonyl]-, (E)- (9CI)
CAS Number:
114092-06-7
Molecular Formula:
C15H19ClO3S
Molecular Weight:
314.8276
IUPAC Name:
9-(4-chlorophenyl)sulfonylnon-6-en-2-one
InChI:
InChI=1S/C15H19ClO3S/c1-13(17)7-5-3-2-4-6-12-20(18,19)15-10-8-14(16)9-11-15/h2,4,8-11H,3,5-7,12H2,1H3
InChI Key:
WWSLBNRBDMBTRN-UHFFFAOYSA-N
SMILES:
CC(=O)CCC/C=C/CCS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.824g/mol
Monoisotopic Mass:
314.074g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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