Cas no 78996-88-0 (tetraphen-6-ylmethanol)
tetraphen-6-ylmethanol structure
Product Name:tetraphen-6-ylmethanol
CAS No:78996-88-0
MF:C19H14O
MW:258.313865184784
CID:1793599
PubChem ID:186994
Update Time:2025-04-21
tetraphen-6-ylmethanol Chemical and Physical Properties
Names and Identifiers
-
- tetraphen-6-ylmethanol
- benzo[a]anthracen-6-ylmethanol
- 6-Hydroxymethylbenz(a)anthracene
- 78996-88-0
- DTXSID50229486
- Benz(a)anthracene-6-methanol
-
- Inchi： 1S/C19H14O/c20-12-16-9-15-7-3-4-8-17(15)19-11-14-6-2-1-5-13(14)10-18(16)19/h1-11,20H,12H2
- InChI Key： NOBFGZIGAOPASK-UHFFFAOYSA-N
- SMILES： OCC1C=C2C=CC=CC2=C2C=C3C=CC=CC3=CC2=1
Computed Properties
- Exact Mass: 258.104465066g/mol
- Monoisotopic Mass: 258.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 339
- 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: 4.5
- Topological Polar Surface Area: 20.2?2
tetraphen-6-ylmethanol Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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