1,4,4a,9a-tetrahydr...

1,4,4a,9a-tetrahydro-1,4-ethanoanthracene-9,10-dione(CAS No. 55431-77-1)

1,4,4a,9a-tetrahydro-1,4-ethanoanthracene-9,10-dione(CAS No. 55431-77-1)

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

1,4-Ethanoanthracene-9,10-dione, 1,4,4a,9a-tetrahydro- 55431-77-1 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
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Details:

Identification and Related Records
【Name】
1,4,4a,9a-tetrahydro-1,4-ethanoanthracene-9,10-dione
【CAS Registry number】
55431-77-1
【Synonyms】
1,4,4a,9a-tetrahydro-1,4-ethanoanthracene-9,10-dione
NSC102299
AC1L6EQT
AC1Q6KMG
NCIOpen2_006798
KST-1B5585
AR-1B7312
NSC-102299
【Molecular Formula】
C16H14O2 (Products with the same molecular formula)
【Molecular Weight】
238.2812
【Inchi】
InChI=1/C16H14O2/c17-15-11-3-1-2-4-12(11)16(18)14-10-7-5-9(6-8-10)13(14)15/h1-5,7,9-10,13-14H,6,8H2
【Canonical SMILES】
C1CC2C=CC1C3C2C(=O)C4=CC=CC=C4C3=O
【MOL File】
55431-77-1.mol
Chemical and Physical Properties
【Density】
1.247g/cm3
【Boiling Point】
414.2°C at 760 mmHg
【Refractive Index】
1.615
【Flash Point】
155°C
【Computed Properties】
Molecular Weight:238.28116 [g/mol]
Molecular Formula:C16H14O2
XLogP3-AA:2.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:238.09938
MonoIsotopic Mass:238.09938
Topological Polar Surface Area:34.1
Heavy Atom Count:18
Formal Charge:0
Complexity:396
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:3
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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