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Dibenz[a,h]anthracene-d14

CAT: 0572-TRC-D417012-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D417012-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13250-98-1
Synonyms
Dibenz[a,h]anthracene-1,2,3,4,5,6,7,8,9,10,11,12,13,14-d14; Dibenz[a,h]anthracene-d14 (7CI,8CI,9CI); Dibenzo[a,h]anthracene D14; Dibenzo(a,h)anthracene D14
Hazard Statement
May cause cancer; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c3c([2H])c4c(c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c23
Molecular Formula
C22 2H14
Molecular Weight
292.43
InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
Additionnal Information
IUPAC name: 1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecadeuterionaphtho[1,2-b]phenanthrene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dibenz(a,h)anthracene-d14
CAS Number13250-98-1
PubChem CID71315917
IUPAC Name1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecadeuterionaphtho[1,2-b]phenanthrene
Molecular FormulaC22H14
Molecular Weight292.4
XLogP6.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity361
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C4=C(C(=C(C5=C(C(=C(C(=C54)[2H])[2H])[2H])[2H])[2H])[2H])C(=C32)[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
InChIKey
LHRCREOYAASXPZ-WZAAGXFHSA-N
Chemical Structure
2D Structure
2D structure of Dibenz(a,h)anthracene-d14
CAS: 13250-98-1
CID: 71315917
Formula: C22H14
MW: 292.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.4
XLogP36.5
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
Complexity361
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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