Cas no 190841-39-5 (Benzo[a]pyren-10-ol, 7,8,9,10-tetrahydro-6-nitro-)
![Benzo[a]pyren-10-ol, 7,8,9,10-tetrahydro-6-nitro- structure](https://ossimg.kuujia.com/scimg/191000/190841-39-5x500.png)
190841-39-5 structure
Product Name:Benzo[a]pyren-10-ol, 7,8,9,10-tetrahydro-6-nitro-
CAS No:190841-39-5
MF:C20H15NO3
MW:317.338005304337
CID:237352
PubChem ID:71356038
Update Time:2025-04-19
Benzo[a]pyren-10-ol, 7,8,9,10-tetrahydro-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyren-10-ol, 7,8,9,10-tetrahydro-6-nitro-
- 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-10-ol
- 7,8,9,10-Tetrahydro-6-nitro-benzo(a)pyren-10-ol
- DTXSID00940674
- 190841-39-5
- 6-Nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-ol
-
- Inchi： 1S/C20H15NO3/c22-16-6-2-5-14-18(16)13-9-7-11-3-1-4-12-8-10-15(19(13)17(11)12)20(14)21(23)24/h1,3-4,7-10,16,22H,2,5-6H2
- InChI Key： QABHAKLSJUUGDA-UHFFFAOYSA-N
- SMILES： OC1CCCC2C(=C3C=CC4=CC=CC5C=CC(=C3C=54)C=21)[N+](=O)[O-]
Computed Properties
- Exact Mass: 317.10525
- Monoisotopic Mass: 317.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 518
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
Benzo[a]pyren-10-ol, 7,8,9,10-tetrahydro-6-nitro- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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