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2031-90-5 | Pentane-1,1,1,2,2,3,3,4,4,5,5,5-d12
CAS No: 2031-90-5 Catalog No: AG0028OR MDL No:MFCD00190495
Product Description
Catalog Number:
AG0028OR
Chemical Name:
Pentane-1,1,1,2,2,3,3,4,4,5,5,5-d12
CAS Number:
2031-90-5
Molecular Formula:
C5D12
Molecular Weight:
84.2227
MDL Number:
MFCD00190495
IUPAC Name:
1,1,1,2,2,3,3,4,4,5,5,5-dodecadeuteriopentane
InChI:
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3/i1D3,2D3,3D2,4D2,5D2
InChI Key:
OFBQJSOFQDEBGM-HYVJACIRSA-N
SMILES:
C([2H])(C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H]
Properties
Complexity:
7.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.169g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
12
Molecular Weight:
84.224g/mol
Monoisotopic Mass:
84.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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