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138054-51-0 | 5,10-Undecadien-2-one, 3-(dimethylamino)-5-methyl-9-methylene-, (E)- (9CI)
CAS No: 138054-51-0 Catalog No: AG0017W7 MDL No:
Product Description
Catalog Number:
AG0017W7
Chemical Name:
5,10-Undecadien-2-one, 3-(dimethylamino)-5-methyl-9-methylene-, (E)- (9CI)
CAS Number:
138054-51-0
Molecular Formula:
C15H25NO
Molecular Weight:
235.3651
IUPAC Name:
3-(dimethylamino)-5-methyl-9-methylideneundeca-5,10-dien-2-one
InChI:
InChI=1S/C15H25NO/c1-7-12(2)9-8-10-13(3)11-15(14(4)17)16(5)6/h7,10,15H,1-2,8-9,11H2,3-6H3
InChI Key:
AQJVGCPHXLHIPB-UHFFFAOYSA-N
SMILES:
C=CC(=C)CC/C=C(/CC(C(=O)C)N(C)C)\C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.194g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.371g/mol
Monoisotopic Mass:
235.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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