Cas no 1147-41-7 (Benzoic acid,2-benzoyl-5-methyl-)
1147-41-7 structure
Product Name:Benzoic acid,2-benzoyl-5-methyl-
Benzoic acid,2-benzoyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-benzoyl-5-methyl-
- 2-benzoyl-5-methylbenzoic acid
- 2-Benzoyl-5-methyl-benzoesaeure
- 2-benzoyl-5-methyl-benzoic acid
- 4-Methylbenzophenone-2-carboxylic acid
- 6-Benzoyl-m-toluic acid
- AC1L3YI6
- BRN 2695362
- m-Toluic acid, 6-benzoyl-
- NSC122997
- SureCN5309754
- DTXSID00150832
- Benzoic acid, 6-benzoyl-3-methyl- (9CI)
- SCHEMBL5309754
- NSC 122997
- NSC-122997
- 1147-41-7
- Benzoic acid, 6-benzoyl-3-methyl-
- 6-BENZOYL-3-METHYLBENZOIC ACID
- 4-10-00-02990 (Beilstein Handbook Reference)
- CHEMBL2260700
-
- Inchi： 1S/C15H12O3/c1-10-7-8-12(13(9-10)15(17)18)14(16)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)
- InChI Key： KNMXCIDAUYVUCS-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1C=CC(C)=CC=1C(=O)O
Computed Properties
- Exact Mass: 240.07866
- Monoisotopic Mass: 240.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 318
- 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: 3.9
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.223
- Boiling Point: 457.1°Cat760mmHg
- Flash Point: 244.4°C
- Refractive Index: 1.606
- PSA: 54.37
- LogP: 2.92420
Benzoic acid,2-benzoyl-5-methyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
1147-41-7 (Benzoic acid,2-benzoyl-5-methyl-) Related Products
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