Cas no 22577-91-9 (6-Ethyl-3,4-dihydronaphthalen-1(2H)-one)
22577-91-9 structure
Product Name:6-Ethyl-3,4-dihydronaphthalen-1(2H)-one
CAS No:22577-91-9
MF:C12H14O
MW:174.238963603973
CID:2187937
PubChem ID:21408215
Update Time:2024-03-01
6-Ethyl-3,4-dihydronaphthalen-1(2H)-one Chemical and Physical Properties
Names and Identifiers
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- 1(2H)-naphthalenone, 6-ethyl-3,4-dihydro-
- 6-ethyl-3,4-dihydronaphthalen-1(2H)-one
- 6-ethyl-1,2,3,4-tetrahydronaphthalen-1-one
- 6-Ethyl-3,4-dihydronaphthalen-1(2H)-one
-
- Inchi： 1S/C12H14O/c1-2-9-6-7-11-10(8-9)4-3-5-12(11)13/h6-8H,2-5H2,1H3
- InChI Key： ARJDKNLLBFEQMO-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC(CC)=CC=2CCC1
Computed Properties
- Exact Mass: 174.104465066g/mol
- Monoisotopic Mass: 174.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 197
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 2.8
6-Ethyl-3,4-dihydronaphthalen-1(2H)-one Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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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