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139934-99-9 | 3,7,11-Tridecatrien-2-one, 5,5,8,12-tetramethyl-, (3E,7E)-
CAS No: 139934-99-9 Catalog No: AG001BU2 MDL No:
Product Description
Catalog Number:
AG001BU2
Chemical Name:
3,7,11-Tridecatrien-2-one, 5,5,8,12-tetramethyl-, (3E,7E)-
CAS Number:
139934-99-9
Molecular Formula:
C17H28O
Molecular Weight:
248.4036
IUPAC Name:
5,5,8,12-tetramethyltrideca-3,7,11-trien-2-one
InChI:
InChI=1S/C17H28O/c1-14(2)8-7-9-15(3)10-12-17(5,6)13-11-16(4)18/h8,10-11,13H,7,9,12H2,1-6H3
InChI Key:
YEYCQCQZZBZWBI-UHFFFAOYSA-N
SMILES:
C/C(=C\CC(/C=C/C(=O)C)(C)C)/CCC=C(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.41g/mol
Monoisotopic Mass:
248.214g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.4
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