Cas no 94501-26-5 (Methyl 2-benzoyl-3-methylbenzoate)
94501-26-5 structure
Product Name:Methyl 2-benzoyl-3-methylbenzoate
CAS No:94501-26-5
MF:C16H14O3
MW:254.280564785004
CID:1001012
PubChem ID:298887
Update Time:2025-04-20
Methyl 2-benzoyl-3-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-benzoyl-3-methylbenzoate
- 94501-26-5
- DTXSID60305609
- NSC-171245
- SCHEMBL2950918
- NSC171245
- Methyl 2-benzoyl-3-methylbenzoate
-
- Inchi： 1S/C16H14O3/c1-11-7-6-10-13(16(18)19-2)14(11)15(17)12-8-4-3-5-9-12/h3-10H,1-2H3
- InChI Key： XEFUSINBBZMMBJ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1C(C(=O)OC)=CC=CC=1C
Computed Properties
- Exact Mass: 254.094294304g/mol
- Monoisotopic Mass: 254.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 331
- 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: 3.5
- Topological Polar Surface Area: 43.4?2
Methyl 2-benzoyl-3-methylbenzoate Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
94501-26-5 (Methyl 2-benzoyl-3-methylbenzoate) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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