Cas no 60058-28-8 (4-Isoquinolinol, 3-(4-methylphenyl)-)
60058-28-8 structure
Product Name:4-Isoquinolinol, 3-(4-methylphenyl)-
CAS No:60058-28-8
MF:C16H13NO
MW:235.280524015427
CID:1622792
PubChem ID:71401171
Update Time:2025-04-21
4-Isoquinolinol, 3-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoquinolinol, 3-(4-methylphenyl)-
- 3-(4-methylphenyl)isoquinolin-4-ol
- 60058-28-8
- DTXSID10822396
- 3-(p-Tolyl)isoquinolin-4-ol
-
- Inchi： 1S/C16H13NO/c1-11-6-8-12(9-7-11)15-16(18)14-5-3-2-4-13(14)10-17-15/h2-10,18H,1H3
- InChI Key： BCUGDYGNJZRILC-UHFFFAOYSA-N
- SMILES： OC1C(C2C=CC(C)=CC=2)=NC=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 235.09979
- Monoisotopic Mass: 235.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 272
- 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: 3.8
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- PSA: 33.12
4-Isoquinolinol, 3-(4-methylphenyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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