Cas no 58920-75-5 (2,2-diacetyl-indane)
2,2-diacetyl-indane structure
Product Name:2,2-diacetyl-indane
CAS No:58920-75-5
MF:C13H14O2
MW:202.249063968658
CID:1079923
PubChem ID:11030882
Update Time:2025-04-20
2,2-diacetyl-indane Chemical and Physical Properties
Names and Identifiers
-
- 2,2-diacetyl-indane
- 1-(2-acetyl-1,3-dihydroinden-2-yl)ethanone
- 2,2-Diacetylindan
- 58920-75-5
- 1,1'-(2,3-Dihydro-1H-indene-2,2-diyl)di(ethan-1-one)
- SCHEMBL8078233
- 1,1'-(2,3-Dihydro-1H-indene-2,2-diyl)diethanone
- DB-072543
- DTXSID10452576
-
- Inchi： 1S/C13H14O2/c1-9(14)13(10(2)15)7-11-5-3-4-6-12(11)8-13/h3-6H,7-8H2,1-2H3
- InChI Key： JFHYFJPAWPUMKE-UHFFFAOYSA-N
- SMILES： O=C(C)C1(C(C)=O)CC2C=CC=CC=2C1
Computed Properties
- Exact Mass: 202.09942
- Monoisotopic Mass: 202.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 263
- 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: 1.6
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,2-diacetyl-indane Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
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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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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5. 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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