Cas no 61172-38-1 (9-Phenanthrenol, 1-(3,5-dimethylphenyl)-)
61172-38-1 structure
Product Name:9-Phenanthrenol, 1-(3,5-dimethylphenyl)-
CAS No:61172-38-1
MF:C22H18O
MW:298.377726078033
CID:489707
PubChem ID:71398673
Update Time:2025-04-19
9-Phenanthrenol, 1-(3,5-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9-Phenanthrenol, 1-(3,5-dimethylphenyl)-
- 1-(3,5-dimethylphenyl)phenanthren-9-ol
- DTXSID00820083
- 61172-38-1
-
- Inchi： 1S/C22H18O/c1-14-10-15(2)12-16(11-14)17-8-5-9-19-18-6-3-4-7-20(18)22(23)13-21(17)19/h3-13,23H,1-2H3
- InChI Key： UDXMIIOEFDASMN-UHFFFAOYSA-N
- SMILES： OC1C=C2C(=CC=CC2=C2C=CC=CC2=1)C1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 298.13584
- Monoisotopic Mass: 298.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 395
- 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: 6.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
9-Phenanthrenol, 1-(3,5-dimethylphenyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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