Cas no 109699-80-1 (Benzo[c]phenanthrene-1,4-dione)
109699-80-1 structure
Product Name:Benzo[c]phenanthrene-1,4-dione
CAS No:109699-80-1
MF:C18H10O2
MW:258.27080488205
CID:128527
PubChem ID:15317479
Update Time:2025-04-18
Benzo[c]phenanthrene-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- Benzo[c]phenanthrene-1,4-dione
- Benzo[c]phenanthrene[1,4]quinone
- Benzo[c]phenanthrene[1,4]quinoneneat
- benzo[g]phenanthrene-1,4-dione
- benz<a>-1,4-phenanthrenequinone
- 1H,4H-benzo[c]phenanthrene-1,4-dione
- 1,4-benzo[c]phenanthrenequinone
- 109699-80-1
- FT-0758970
- DTXSID90571370
-
- Inchi: 1S/C18H10O2/c19-15-9-10-16(20)18-14(15)8-7-12-6-5-11-3-1-2-4-13(11)17(12)18/h1-10H
- InChI Key: OJPQILIJRKPTNG-UHFFFAOYSA-N
- SMILES: O=C1C=CC(C2=CC=C3C=CC4C=CC=CC=4C3=C21)=O
Computed Properties
- Exact Mass: 258.06800
- Monoisotopic Mass: 258.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 464
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14000
- LogP: 3.92820
Benzo[c]phenanthrene-1,4-dione Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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