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88691-58-1 | 4,8-Undecadien-2-one, 6-methyl-
CAS No: 88691-58-1 Catalog No: AG0046TS MDL No:
Product Description
Catalog Number:
AG0046TS
Chemical Name:
4,8-Undecadien-2-one, 6-methyl-
CAS Number:
88691-58-1
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
6-methylundeca-4,8-dien-2-one
InChI:
InChI=1S/C12H20O/c1-4-5-6-8-11(2)9-7-10-12(3)13/h5-7,9,11H,4,8,10H2,1-3H3
InChI Key:
YIMAFSXXTVAJLO-UHFFFAOYSA-N
SMILES:
CCC=CCC(C=CCC(=O)C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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