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116601-58-2 | Benzene-1,2,3,5-d4, 4,6-di(methyl-d3)-
CAS No: 116601-58-2 Catalog No: AG000CV3 MDL No:
Product Description
Catalog Number:
AG000CV3
Chemical Name:
Benzene-1,2,3,5-d4, 4,6-di(methyl-d3)-
CAS Number:
116601-58-2
Molecular Formula:
C8D10
Molecular Weight:
116.2266
IUPAC Name:
1,2,3,5-tetradeuterio-4,6-bis(trideuteriomethyl)benzene
InChI:
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D
InChI Key:
IVSZLXZYQVIEFR-ZGYYUIRESA-N
SMILES:
c1([2H])c(c([2H])c(c(c1C([2H])([2H])[2H])[2H])[2H])C([2H])([2H])[2H]
Properties
Complexity:
58.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.141g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
10
Molecular Weight:
116.229g/mol
Monoisotopic Mass:
116.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Assessing in situ rates of anaerobic hydrocarbon bioremediation. | Microbial biotechnology 20090301 |
| Accelerated arene ligand exchange in the (Arene)Cr(CO)2L series. | Journal of the American Chemical Society 20050601 |
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