2,6-Diazaanthracene-9,10-dione - CAS 117727-15-8
Catalog: |
BB068191 |
Product Name: |
2,6-Diazaanthracene-9,10-dione |
CAS: |
117727-15-8 |
Synonyms: |
Pyrido[3,4-g]isoquinoline-5,10-dione |
IUPAC Name: | pyrido[3,4-g]isoquinoline-5,10-dione |
Description: | 2,6-Diazaanthracene-9,10-dione, can be used in the preparation of anthraquinone analogue cathode materials, having thermodynamic and dynamic properties, that can be used in rechargeable lithium ion batteries. |
Molecular Weight: | 210.19 |
Molecular Formula: | C12H6N2O2 |
Canonical SMILES: | C1=CN=CC2=C1C(=O)C3=C(C2=O)C=CN=C3 |
InChI: | InChI=1S/C12H6N2O2/c15-11-7-1-3-13-5-9(7)12(16)8-2-4-14-6-10(8)11/h1-6H |
InChI Key: | KFLUOJYWKAUGOT-UHFFFAOYSA-N |
References: | Yang, Sh. et al. Phys. Chem. Chemi. PHys, Vol19, P: 12480-12489 (2017). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 59.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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