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hexadeuteriobenzene

CAS No.:
1076-43-3
Catalog Number:
AG0034HO
Molecular Formula:
C6D6
Molecular Weight:
84.1488
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Product Description
Catalog Number:
AG0034HO
Chemical Name:
hexadeuteriobenzene
CAS Number:
1076-43-3
Molecular Formula:
C6D6
Molecular Weight:
84.1488
MDL Number:
MFCD00003010
IUPAC Name:
1,2,3,4,5,6-hexadeuteriobenzene
InChI:
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChI Key:
UHOVQNZJYSORNB-MZWXYZOWSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1[2H])[2H])[2H]
EC Number:
214-061-8
Properties
Complexity:
15.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.085g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
6  
Molecular Weight:
84.151g/mol
Monoisotopic Mass:
84.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
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Properties