Cas no 51787-73-6 (4-Isoquinolinol, 3-phenyl-)
4-Isoquinolinol, 3-phenyl- structure
Product Name:4-Isoquinolinol, 3-phenyl-
CAS No:51787-73-6
MF:C15H11NO
MW:221.253943681717
CID:1574005
PubChem ID:11138682
Update Time:2025-04-21
4-Isoquinolinol, 3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoquinolinol, 3-phenyl-
- 3-phenylisoquinolin-4-ol
- 3-phenyl-4-hydroxyisoquinoline
- DTXSID50456634
- 51787-73-6
-
- Inchi： 1S/C15H11NO/c17-15-13-9-5-4-8-12(13)10-16-14(15)11-6-2-1-3-7-11/h1-10,17H
- InChI Key： WUIGIGFXTANGLO-UHFFFAOYSA-N
- SMILES： OC1C(C2C=CC=CC=2)=NC=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 221.08413
- Monoisotopic Mass: 221.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 249
- 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: 3.4
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- PSA: 33.12
4-Isoquinolinol, 3-phenyl- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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5. 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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