Cas no 7597-94-6 ( )
structure
Product Name:
CAS No:7597-94-6
MF:C23H20O2
MW:328.403706550598
CID:982249
PubChem ID:348441
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- phenyl-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone
- (2-benzoylphenyl)(2,4,6-trimethylphenyl)methanone
- 1-Benzoyl-2-(2,4,6-trimethyl-benzoyl)-benzol
- 1-Benzoyl-2-< 2,4,6-trimethyl-benzoyl> -benzol
- 2-< 2,4,6-Trimethyl-benzoyl> -benzophenon
- AC1L89KI
- AC1Q2HSV
- NSC407728
- o-benzoylmesitoylbenzene
- 7597-94-6
- DTXSID90324808
- NSC-407728
-
-
- Inchi： 1S/C23H20O2/c1-15-13-16(2)21(17(3)14-15)23(25)20-12-8-7-11-19(20)22(24)18-9-5-4-6-10-18/h4-14H,1-3H3
- InChI Key： CHTZTQWATBZLTP-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=CC=C1C(C1C=CC=CC=1)=O)C1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 328.1464
- Monoisotopic Mass: 328.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 465
- 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: 5.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
- LogP: 5.07380
Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
7597-94-6 ( ) Related Products
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