Cas no 2509-46-8 (Benzoic acid,3-methyl-2-(2,4,6-trimethylbenzoyl)-)
2509-46-8 structure
Product Name:Benzoic acid,3-methyl-2-(2,4,6-trimethylbenzoyl)-
CAS No:2509-46-8
MF:C18H18O3
MW:282.333725452423
CID:274209
PubChem ID:349085
Update Time:2025-04-19
Benzoic acid,3-methyl-2-(2,4,6-trimethylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-methyl-2-(2,4,6-trimethylbenzoyl)-
- 3-methyl-2-(2,4,6-trimethylbenzoyl)benzoic acid
- 2509-46-8
- NSC-408640
- DTXSID60325100
- NSC408640
-
- Inchi： 1S/C18H18O3/c1-10-8-12(3)15(13(4)9-10)17(19)16-11(2)6-5-7-14(16)18(20)21/h5-9H,1-4H3,(H,20,21)
- InChI Key： CBCGTVOWIWEJQF-UHFFFAOYSA-N
- SMILES： O=C(C1C(C(=O)O)=CC=CC=1C)C1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 282.12564
- Monoisotopic Mass: 282.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 391
- 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: 4.2
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.151
- Boiling Point: 422.5°C at 760 mmHg
- Flash Point: 223.5°C
- Refractive Index: 1.585
- PSA: 54.37
- LogP: 3.84940
Benzoic acid,3-methyl-2-(2,4,6-trimethylbenzoyl)- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
2509-46-8 (Benzoic acid,3-methyl-2-(2,4,6-trimethylbenzoyl)-) Related Products
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