Cas no 17791-25-2 ( )
structure
Product Name:
CAS No:17791-25-2
MF:C15H14O2
MW:226.270464420319
CID:906576
PubChem ID:301514
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- AC1L6YLF; 3-(4-Hydroxy-phenyl)-1-phenyl-propan-1-on; 3-(4-hydroxy-phenyl)-1-phenyl-propan-1-one; NSC179363; SureCN1076586; CHEMBL493025;
- 3-(4-hydroxyphenyl)-1-phenyl-1-propanone
- SCHEMBL1076586
- NSC-179363
- 3-(4-Hydroxy-phenyl)-1-phenyl-propan-1-one
- AKOS017552850
- WYRIUKIUHKMEJX-UHFFFAOYSA-N
- CHEMBL493025
- DTXSID40306694
- 17791-25-2
- NSC179363
-
-
- Inchi： 1S/C15H14O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10,16H,8,11H2
- InChI Key： WYRIUKIUHKMEJX-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)CCC1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 226.09942
- Monoisotopic Mass: 226.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 235
- 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: 3.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
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
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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