Cas no 92156-89-3 ( )
structure
Product Name:
CAS No:92156-89-3
MF:C13H18O3
MW:222.280224323273
CID:998131
PubChem ID:351847
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 2-(2,4-diethylphenoxy)propanoic acid
- NSC523854
- SCHEMBL12933654
- NSC 523854
- DTXSID20326077
- 92156-89-3
- NSC-523854
- DS-000464
-
-
- Inchi： 1S/C13H18O3/c1-4-10-6-7-12(11(5-2)8-10)16-9(3)13(14)15/h6-9H,4-5H2,1-3H3,(H,14,15)
- InChI Key： QMAJEBAMAUMPBE-UHFFFAOYSA-N
- SMILES： O(C(C(=O)O)C)C1C=CC(CC)=CC=1CC
Computed Properties
- Exact Mass: 222.126
- Monoisotopic Mass: 222.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.073
- Boiling Point: 335.8°C at 760 mmHg
- Flash Point: 121.9°C
- Refractive Index: 1.518
Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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