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DINOCAP

CAS No.:
131-72-6
Catalog Number:
AG009AKK
Molecular Formula:
C18H24N2O6
Molecular Weight:
364.3930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$140
- +
50mg
98%
1 week
United States
$279
- +
Product Description
Catalog Number:
AG009AKK
Chemical Name:
DINOCAP
CAS Number:
131-72-6
Molecular Formula:
C18H24N2O6
Molecular Weight:
364.3930
MDL Number:
MFCD00054268
IUPAC Name:
(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate
InChI:
InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
InChI Key:
NIOPZPCMRQGZCE-WEVVVXLNSA-N
SMILES:
CCCCCCC(c1cc(cc(c1OC(=O)/C=C/C)[N+](=O)[O-])[N+](=O)[O-])C
EC Number:
228-088-8
Properties
Complexity:
511  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
364.163g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.398g/mol
Monoisotopic Mass:
364.163g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Literature
Title Journal
A fast, inexpensive, and safe method for residue analysis of meptyldinocap in different fruits by liquid chromatography/tandem mass spectrometry. Journal of AOAC International 20100101
Properties