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5-methoxy-7,12-dimethyltetraphene 53306-03-9

5-methoxy-7,12-dimethyltetraphene 53306-03-9

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

Benz(a)anthracene, 5-methoxy-7,12-dimethyl- 5-methoxy-7,12-dimethyltetraphene 53306-03-9

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  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
5-methoxy-7,12-dimethyltetraphene
【Iupac name】
5-methoxy-7,12-dimethylbenzo[a]anthracene
【CAS Registry number】
53306-03-9
【Synonyms】
Benz(a)anthracene, 5-methoxy-7,12-dimethyl-
【Molecular Formula】
C21H18O (Products with the same molecular formula)
【Molecular Weight】
286.367
【Inchi】
InChI=1/C21H18O/c1-13-15-8-4-5-9-16(15)14(2)21-18-11-7-6-10-17(18)20(22-3)12-19(13)21/h4-12H,1-3H3
【Canonical SMILES】
CC1=C2C=C(C3=CC=CC=C3C2=C(C4=CC=CC=C14)C)OC
【MOL File】
53306-03-9.mol
Chemical and Physical Properties
【Density】
1.153g/cm3
【Boiling Point】
494.9°C at 760 mmHg
【Refractive Index】
1.701
【Flash Point】
204.7°C
【Computed Properties】
Molecular Weight:286.36702 [g/mol]
Molecular Formula:C21H18O
XLogP3-AA:6.4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:286.135765
MonoIsotopic Mass:286.135765
Topological Polar Surface Area:9.2
Heavy Atom Count:22
Formal Charge:0
Complexity:391
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:4
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

 

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