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Tonalide

CAS No.:
21145-77-7
Catalog Number:
AG003CW2
Molecular Formula:
C18H26O
Molecular Weight:
258.3984
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
>99%(GC)powder
In Stock USA
United States
$87
- +
1g
>99%(GC)powder
In Stock USA
United States
$360
- +
Product Description
Catalog Number:
AG003CW2
Chemical Name:
Tonalide
CAS Number:
21145-77-7
Molecular Formula:
C18H26O
Molecular Weight:
258.3984
MDL Number:
MFCD00437355
IUPAC Name:
1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
InChI:
InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
InChI Key:
DNRJTBAOUJJKDY-UHFFFAOYSA-N
SMILES:
CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C
NSC Number:
19550
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.198g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.405g/mol
Monoisotopic Mass:
258.198g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
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Properties