Cas no 79418-86-3 (7-(hydroxymethyl)benzo[pqr]tetraphen-3-ol)
![7-(hydroxymethyl)benzo[pqr]tetraphen-3-ol structure](https://ossimg.kuujia.com/scimg/79500/79418-86-3x500.png)
79418-86-3 structure
Product Name:7-(hydroxymethyl)benzo[pqr]tetraphen-3-ol
CAS No:79418-86-3
MF:C21H14O2
MW:298.334665775299
CID:1797210
PubChem ID:187168
Update Time:2025-04-21
7-(hydroxymethyl)benzo[pqr]tetraphen-3-ol Chemical and Physical Properties
Names and Identifiers
-
- 7-(hydroxymethyl)benzo[pqr]tetraphen-3-ol
- 7-(hydroxymethyl)benzo[a]pyren-3-ol
- Benzo(a)pyrene-7-methanol, 3-hydroxy-
- DTXSID30229646
- 79418-86-3
-
- Inchi： 1S/C21H14O2/c22-11-14-2-1-3-15-16-7-4-12-6-9-19(23)17-8-5-13(10-18(14)15)21(16)20(12)17/h1-10,22-23H,11H2
- InChI Key： NXYDPLHGPNITDB-UHFFFAOYSA-N
- SMILES： OC1C=CC2=CC=C3C4C=CC=C(CO)C=4C=C4C=CC=1C2=C34
Computed Properties
- Exact Mass: 298.099379685g/mol
- Monoisotopic Mass: 298.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 449
- 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: 5
- Topological Polar Surface Area: 40.5?2
7-(hydroxymethyl)benzo[pqr]tetraphen-3-ol Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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