Cas no 71130-69-3 (Tetradecanoic acid,2-(4-nitrophenoxy)-, methyl ester)
71130-69-3 structure
Product Name:Tetradecanoic acid,2-(4-nitrophenoxy)-, methyl ester
CAS No:71130-69-3
MF:C21H33NO5
MW:379.490426778793
CID:563995
PubChem ID:116745
Update Time:2025-04-19
Tetradecanoic acid,2-(4-nitrophenoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid,2-(4-nitrophenoxy)-, methyl ester
- methyl 2-(p-nitrophenoxy)tetradecanoate
- Methyl 2-(4-nitrophenoxy)myristate
- Methyl 2-(4-nitrophenoxy)tetradecanoate
- NS00059969
- DTXSID10887844
- EINECS 275-213-7
- Tetradecanoic acid, 2-(4-nitrophenoxy)-, methyl ester
- 71130-69-3
-
- Inchi： 1S/C21H33NO5/c1-3-4-5-6-7-8-9-10-11-12-13-20(21(23)26-2)27-19-16-14-18(15-17-19)22(24)25/h14-17,20H,3-13H2,1-2H3
- InChI Key： VLJMGYSIDPDNLB-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])C(C(=O)OC)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 379.23599
- Monoisotopic Mass: 379.23587315g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 15
- Complexity: 402
- 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: 7.8
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- PSA: 78.67
Tetradecanoic acid,2-(4-nitrophenoxy)-, methyl ester Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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