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Wieland-miescher ketone

CAS No.:
20007-72-1
Catalog Number:
AG002CIR
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$65
- +
5g
95%
In Stock USA
United States
$232
- +
Product Description
Catalog Number:
AG002CIR
Chemical Name:
Wieland-miescher ketone
CAS Number:
20007-72-1
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00001687
IUPAC Name:
8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
InChI:
InChI=1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3
InChI Key:
DNHDRUMZDHWHKG-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C(=C1)CCCC2=O)C
EC Number:
243-463-6
NSC Number:
87581
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties