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1879-00-1 | 7-Octen-4-one, 2,6-dimethyl-
CAS No: 1879-00-1 Catalog No: AG002GKC MDL No:
Product Description
Catalog Number:
AG002GKC
Chemical Name:
7-Octen-4-one, 2,6-dimethyl-
CAS Number:
1879-00-1
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
2,6-dimethyloct-7-en-4-one
InChI:
InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChI Key:
VUSBHGLIAQXBSW-UHFFFAOYSA-N
SMILES:
C=CC(CC(=O)CC(C)C)C
EC Number:
217-532-6
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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