Cas no 86072-96-0 (benzo[pqr]tetraphen-1-ylmethanol)
![benzo[pqr]tetraphen-1-ylmethanol structure](https://ossimg.kuujia.com/scimg/86500/86072-96-0x500.png)
86072-96-0 structure
Product Name:benzo[pqr]tetraphen-1-ylmethanol
CAS No:86072-96-0
MF:C21H14O
MW:282.335265636444
CID:1843703
PubChem ID:174539
Update Time:2025-04-21
benzo[pqr]tetraphen-1-ylmethanol Chemical and Physical Properties
Names and Identifiers
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- benzo[pqr]tetraphen-1-ylmethanol
- Benzo(a)pyrene-1-methanol
- benzo[a]pyren-1-ylmethanol
- DTXSID40235374
- 1-(hydroxymethyl)benzo[a]pyrene
- 86072-96-0
-
- Inchi： 1S/C21H14O/c22-12-16-8-6-13-5-7-15-11-14-3-1-2-4-17(14)19-10-9-18(16)20(13)21(15)19/h1-11,22H,12H2
- InChI Key： XQUJTLVBHGJCOW-UHFFFAOYSA-N
- SMILES： OCC1C=CC2=CC=C3C=C4C=CC=CC4=C4C=CC=1C2=C43
Computed Properties
- Exact Mass: 282.104465066g/mol
- Monoisotopic Mass: 282.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 418
- 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: 5.5
- Topological Polar Surface Area: 20.2?2
benzo[pqr]tetraphen-1-ylmethanol Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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