Cas no 182492-41-7 (3-Oxo-4-(2-naphthyl)-butanoic acid ethyl ester)
182492-41-7 structure
Product Name:3-Oxo-4-(2-naphthyl)-butanoic acid ethyl ester
CAS No:182492-41-7
MF:C16H16O3
MW:256.296444892883
CID:2123259
Update Time:2023-08-03
3-Oxo-4-(2-naphthyl)-butanoic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Oxo-4-(2-naphthyl)-butanoic acid ethyl ester
- MHRYVENQQXAZHZ-UHFFFAOYSA-N
- ETHYL 4-(NAPHTHALEN-6-YL)-3-OXOBUTANOATE
-
- Inchi： 1S/C16H16O3/c1-2-19-16(18)11-15(17)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9H,2,10-11H2,1H3
- InChI Key： MHRYVENQQXAZHZ-UHFFFAOYSA-N
- SMILES： O(CC)C(CC(CC1C=CC2C=CC=CC=2C=1)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 324
- Topological Polar Surface Area: 43.4
3-Oxo-4-(2-naphthyl)-butanoic acid ethyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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