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Pentacene-d14 (Major)

CAT: 0572-TRC-P237772-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P237772-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63912-16-3
Synonyms
2,3:6,7-Dibenzanthracene-d14; Benzo[b]naphthacene-d14; Dibenz[b,i]anthracene-d14; NSC 90784-d14; lin-Dibenzanthracene-d14; lin-Naphthoanthracene-d14
Hazard Statement
No Data Available
Smiles
[2H]C1=C([2H])C([2H])=C([2H])C2=C1C([2H])=C(C([2H])=C(C([2H])=C(C([2H])=C([2H])C([2H])=C3[2H])C3=C4[2H])C4=C5[2H])C5=C2[2H]
Molecular Formula
C22D14
Molecular Weight
292.43
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pentacene-d14
CAS Number63912-16-3
PubChem CID100970488
IUPAC Name1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecadeuteriopentacene
Molecular FormulaC22H14
Molecular Weight292.4
XLogP6.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity325
SMILES
[2H]C1=C(C(=C2C(=C3C(=C4C(=C5C(=C(C(=C(C5=C(C4=C(C3=C(C2=C1[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
InChIKey
SLIUAWYAILUBJU-WZAAGXFHSA-N
Chemical Structure
2D Structure
2D structure of Pentacene-d14
CAS: 63912-16-3
CID: 100970488
Formula: C22H14
MW: 292.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.4
XLogP36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass292.197424890
Monoisotopic Mass292.197424890
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity325
Isotope Atom Count14
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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