Cas no 35776-96-6 (Benzoicacid, 4-(4-methylbenzoyl)-)
35776-96-6 structure
Product Name:Benzoicacid, 4-(4-methylbenzoyl)-
CAS No:35776-96-6
MF:C15H12O3
MW:240.253984451294
CID:323791
PubChem ID:182253
Update Time:2025-04-19
Benzoicacid, 4-(4-methylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 4-(4-methylbenzoyl)-
- 4-(4-methylbenzoyl)benzoic acid
- 35776-96-6
- Benzoic acid, 4-(4-methylbenzoyl)-
- DTXSID00957166
- SCHEMBL4840786
- JPEOSEZZXWJRHV-UHFFFAOYSA-N
-
- Inchi： 1S/C15H12O3/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(9-7-12)15(17)18/h2-9H,1H3,(H,17,18)
- InChI Key： JPEOSEZZXWJRHV-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C(=O)O)=CC=1)C1C=CC(C)=CC=1
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: 308
- 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: 3.6
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.223
- Boiling Point: 444°Cat760mmHg
- Flash Point: 236.5°C
- Refractive Index: 1.606
- PSA: 54.37
Benzoicacid, 4-(4-methylbenzoyl)- Related Literature
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1. Formation of inclusion complexes of benzophenone derivatives; β-cyclodextrin studied by induced circular dichroismNorio Matsuura,Shunsuke Takenaka,Niichiro Tokura J. Chem. Soc. Perkin Trans. 2 1977 1419
35776-96-6 (Benzoicacid, 4-(4-methylbenzoyl)-) Related Products
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