Cas no 57943-67-6 (Nonanoic acid,2-phenylethyl ester)
57943-67-6 structure
Product Name:Nonanoic acid,2-phenylethyl ester
CAS No:57943-67-6
MF:C17H26O2
MW:262.387145519257
CID:368354
PubChem ID:93896
Update Time:2025-04-19
Nonanoic acid,2-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonanoic acid,2-phenylethyl ester
- 2-phenylethyl nonanoate
- phenethyl nonanoate
- Phenylethyl n-nonanoate
- AFBMLGHBGGLHOF-UHFFFAOYSA-N
- 57943-67-6
- EINECS 261-029-4
- SCHEMBL873318
- Nonanoic acid, 2-phenylethyl ester
- UNII-WZ9NFC5TZF
- DTXSID60206647
- NS00033817
- 2-Phenylethyl nonanoate #
- phenylethyl nonanoate
- Q63391598
- WZ9NFC5TZF
-
- Inchi： 1S/C17H26O2/c1-2-3-4-5-6-10-13-17(18)19-15-14-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
- InChI Key： AFBMLGHBGGLHOF-UHFFFAOYSA-N
- SMILES： O(CCC1C=CC=CC=1)C(CCCCCCCC)=O
Computed Properties
- Exact Mass: 262.19338
- Monoisotopic Mass: 262.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 11
- Complexity: 219
- 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: 5.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Nonanoic acid,2-phenylethyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
57943-67-6 (Nonanoic acid,2-phenylethyl ester) Related Products
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