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Triphenylene-d12

CAT: 0572-TRC-T900898-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T900898-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17777-56-9
Synonyms
Triphenylene-d12 (7CI,8CI,9CI); Triphenylene D12
Hazard Statement
Causes serious eye damage; UN number: UN3077; Packing Group: III
Smiles
[2H]c1c([2H])c([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4c2c1[2H]
Molecular Formula
C18 2H12
Molecular Weight
240.36
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
Additionnal Information
IUPAC name: 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriotriphenylene
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Triphenylene-d12
CAS Number17777-56-9
PubChem CID16213874
IUPAC Name1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriotriphenylene
Molecular FormulaC18H12
Molecular Weight240.4
XLogP4.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity217
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C3=C(C(=C(C(=C3C4=C(C(=C(C(=C24)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
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
InChIKey
SLGBZMMZGDRARJ-AQZSQYOVSA-N
Chemical Structure
2D Structure
2D structure of Triphenylene-d12
CAS: 17777-56-9
CID: 16213874
Formula: C18H12
MW: 240.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass240.169221334
Monoisotopic Mass240.169221334
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity217
Isotope Atom Count12
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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