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88691-57-0 | 4,8-Decadien-2-one, 6-methyl-
CAS No: 88691-57-0 Catalog No: AG0047PL MDL No:
Product Description
Catalog Number:
AG0047PL
Chemical Name:
4,8-Decadien-2-one, 6-methyl-
CAS Number:
88691-57-0
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
6-methyldeca-4,8-dien-2-one
InChI:
InChI=1S/C11H18O/c1-4-5-7-10(2)8-6-9-11(3)12/h4-6,8,10H,7,9H2,1-3H3
InChI Key:
LHYUDXXNKMONMX-UHFFFAOYSA-N
SMILES:
CC=CCC(C=CCC(=O)C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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