Cas no 61797-98-6 (Decanoic acid, 10-oxo-10-(phenylamino)-)
61797-98-6 structure
Product Name:Decanoic acid, 10-oxo-10-(phenylamino)-
CAS No:61797-98-6
MF:C16H23NO3
MW:277.358724832535
CID:465831
PubChem ID:71392019
Update Time:2025-04-19
Decanoic acid, 10-oxo-10-(phenylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid, 10-oxo-10-(phenylamino)-
- 10-anilino-10-oxodecanoic acid
- 61797-98-6
- DTXSID70813841
-
- Inchi： 1S/C16H23NO3/c18-15(17-14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-16(19)20/h5-7,10-11H,1-4,8-9,12-13H2,(H,17,18)(H,19,20)
- InChI Key： ORRKJZVNXONAPT-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCC(=O)O)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 277.16789
- Monoisotopic Mass: 277.16779360g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 285
- 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: 3.7
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.4
Decanoic acid, 10-oxo-10-(phenylamino)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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