Cas no 72297-18-8 (1-Naphthalenepentanoicacid, ethyl ester)
72297-18-8 structure
Product Name:1-Naphthalenepentanoicacid, ethyl ester
CAS No:72297-18-8
MF:C17H20O2
MW:256.339505195618
CID:577236
PubChem ID:317431
Update Time:2025-04-19
1-Naphthalenepentanoicacid, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenepentanoicacid, ethyl ester
- ethyl 5-naphthalen-1-ylpentanoate
- AC1L7VZ2
- ethyl 5-(naphthalen-1-yl)pentanoate
- NSC249222
- DTXSID50312049
- NSC-249222
- 72297-18-8
-
- Inchi： 1S/C17H20O2/c1-2-19-17(18)13-6-4-9-15-11-7-10-14-8-3-5-12-16(14)15/h3,5,7-8,10-12H,2,4,6,9,13H2,1H3
- InChI Key： ZTAQQSUQKIVMEY-UHFFFAOYSA-N
- SMILES： O(CC)C(CCCCC1C=CC=C2C=CC=CC=12)=O
Computed Properties
- Exact Mass: 256.1464
- Monoisotopic Mass: 256.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 274
- 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: 4.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.057
- Boiling Point: 383.5°Cat760mmHg
- Flash Point: 147.6°C
- Refractive Index: 1.561
- PSA: 26.3
- LogP: 4.11570
1-Naphthalenepentanoicacid, ethyl ester Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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