Cas no 1146-91-4 (Benzoic acid,2-benzoyl-3-methyl-)
1146-91-4 structure
Product Name:Benzoic acid,2-benzoyl-3-methyl-
CAS No:1146-91-4
MF:C15H12O3
MW:240.253984451294
CID:159061
PubChem ID:349622
Update Time:2025-04-19
Benzoic acid,2-benzoyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-benzoyl-3-methyl-
- 2-Benzoyl-3-methyl-benzoesaeure
- 2-benzoyl-3-methyl-benzoic acid
- 3-Methyl-2-benzoylbenzoesaeure
- 3-Methyl-2-benzoyl-benzoesaeure
- KB-228360
- NSC409448
- SureCN51520
- DTXSID40325249
- NSC-409448
- SCHEMBL51520
- 1146-91-4
- 2-benzoyl-3-methylbenzoic acid
-
- Inchi： 1S/C15H12O3/c1-10-6-5-9-12(15(17)18)13(10)14(16)11-7-3-2-4-8-11/h2-9H,1H3,(H,17,18)
- InChI Key： ALCCIWCIVXRVCD-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1C(C(=O)O)=CC=CC=1C
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: 3.2
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.223
- Boiling Point: 416.5°C at 760 mmHg
- Flash Point: 219.8°C
- Refractive Index: 1.606
- PSA: 54.37
- LogP: 2.92420
Benzoic acid,2-benzoyl-3-methyl- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
1146-91-4 (Benzoic acid,2-benzoyl-3-methyl-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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