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97565-89-4 | n-Butane-1,1,2,2,3,3,4,4,4-d9 (gas)
CAS No: 97565-89-4 Catalog No: AG01FO37 MDL No:
Product Description
Catalog Number:
AG01FO37
Chemical Name:
n-Butane-1,1,2,2,3,3,4,4,4-d9 (gas)
CAS Number:
97565-89-4
IUPAC Name:
1,1,1,2,2,3,3,4,4-nonadeuteriobutane
InChI:
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1D2,2D3,3D2,4D2
InChI Key:
IJDNQMDRQITEOD-SWNXBZEESA-N
Properties
Complexity:
2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
67.135g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
9
Molecular Weight:
67.179g/mol
Monoisotopic Mass:
67.135g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Comparative metabolite profiling of carboxylic acids in rat urine by CE-ESI MS/MS through positively pre-charged and (2)H-coded derivatization. | Electrophoresis 20081101 |
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