Cas no 196-77-0 (Benzo[def]cyclopenta[hi]chrysene)
![Benzo[def]cyclopenta[hi]chrysene structure](https://ossimg.kuujia.com/scimg/500/196-77-0x500.png)
196-77-0 structure
Product Name:Benzo[def]cyclopenta[hi]chrysene
Benzo[def]cyclopenta[hi]chrysene Chemical and Physical Properties
Names and Identifiers
-
- Benzo[def]cyclopenta[hi]chrysene
- naphtho(2,1,8-hij)acephenanthrylene
- Benzo(def)cyclopenta(hi)chrysene
- benzo[pqr]cyclopenta[ij]tetraphene
- CCRIS 4312
- Cyclopenta(ij)benzo(a)pyrene
- Indeno(1,7-ab)pyrene
- KTUUKOLUMWVAQP-UHFFFAOYSA-N
- 196-77-0
- DTXSID70941375
- hexacyclo[11.6.2.12,5.010,20.017,21.09,22]docosa-1,3,5(22),6,8,10(20),11,13(21),14,16,18-undecaene
- Indeno[1,7-ab]pyrene
-
- Inchi： 1S/C22H12/c1-3-13-7-11-18-16-6-2-5-15-9-10-17(21(15)16)19-12-8-14(4-1)20(13)22(18)19/h1-12H
- InChI Key： KTUUKOLUMWVAQP-UHFFFAOYSA-N
- SMILES： C12=C3C4=CC=CC3=CC=C1C1C=CC3=CC=CC(C=13)=C2C=C4
Computed Properties
- Exact Mass: 276.09396
- Monoisotopic Mass: 276.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 490
- 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: 6.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.1847 (estimate)
- Boiling Point: 354.24°C (rough estimate)
- Flash Point: 265.3°C
- Refractive Index: 1.9800 (estimate)
- PSA: 0
Benzo[def]cyclopenta[hi]chrysene Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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