Cas no 194664-69-2 (4-Ethyl-1-phenylnonane-1,3-dione)
194664-69-2 structure
Product Name:4-Ethyl-1-phenylnonane-1,3-dione
CAS No:194664-69-2
MF:C17H24O2
MW:260.371265411377
CID:2788575
PubChem ID:17822448
Update Time:2025-04-21
4-Ethyl-1-phenylnonane-1,3-dione Chemical and Physical Properties
Names and Identifiers
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- 194664-69-2
- 4-ETHYL-1-PHENYLNONANE-1,3-DIONE
- DTXSID20591127
- SCHEMBL7053072
- 4-Ethyl-1-phenylnonane-1,3-dione
-
- Inchi： 1S/C17H24O2/c1-3-5-7-10-14(4-2)16(18)13-17(19)15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10,13H2,1-2H3
- InChI Key： UOTBNMMBWQYDKX-UHFFFAOYSA-N
- SMILES： O=C(CC(C1C=CC=CC=1)=O)C(CC)CCCCC
Computed Properties
- Exact Mass: 260.177630004Da
- Monoisotopic Mass: 260.177630004Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 277
- 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: 4.8
- Topological Polar Surface Area: 34.1?2
4-Ethyl-1-phenylnonane-1,3-dione Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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