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17777-56-9

17777-56-9 | Triphenylene-d12 (7CI,8CI,9CI)

CAS No: 17777-56-9 Catalog No: AG0025JW MDL No:

Product Description

Catalog Number:
AG0025JW
Chemical Name:
Triphenylene-d12 (7CI,8CI,9CI)
CAS Number:
17777-56-9
Molecular Formula:
C18D12
Molecular Weight:
240.3618
IUPAC Name:
1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriotriphenylene
InChI:
InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI Key:
SLGBZMMZGDRARJ-AQZSQYOVSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c2c1c1c([2H])c([2H])c(c(c1c1c2c([2H])c([2H])c(c1[2H])[2H])[2H])[2H])[2H]

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.169g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
12  
Molecular Weight:
240.367g/mol
Monoisotopic Mass:
240.169g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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