Cas no 85409-81-0 (1,2-Ethylene 2-benzoyl-5-methylbenzoate)
85409-81-0 structure
Product Name:1,2-Ethylene 2-benzoyl-5-methylbenzoate
CAS No:85409-81-0
MF:C32H26O6
MW:506.545249462128
CID:990441
Update Time:2023-08-03
1,2-Ethylene 2-benzoyl-5-methylbenzoate Chemical and Physical Properties
Names and Identifiers
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- 1,2-ethylene 2-benzoyl-5-methylbenzoate
- Ethane-1,2-diyl bis(2-benzoyl-5-methylbenzoate)
- Bis(2-benzoyl-5-methylbenzoic acid)1,2-ethanediyl ester
- 1,2-Ethylene 2-benzoyl-5-methylbenzoate
-
- Inchi： 1S/C32H26O6/c1-21-13-15-25(29(33)23-9-5-3-6-10-23)27(19-21)31(35)37-17-18-38-32(36)28-20-22(2)14-16-26(28)30(34)24-11-7-4-8-12-24/h3-16,19-20H,17-18H2,1-2H3
- InChI Key： BFJNXIGQAFHHBN-UHFFFAOYSA-N
- SMILES： O(CCOC(C1C=C(C)C=CC=1C(C1C=CC=CC=1)=O)=O)C(C1C=C(C)C=CC=1C(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 506.173
- Monoisotopic Mass: 506.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 38
- Rotatable Bond Count: 11
- Complexity: 756
- 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: 86.7
1,2-Ethylene 2-benzoyl-5-methylbenzoate Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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