Cas no 53912-01-9 (Benzoic acid, 4-benzoyl-, propyl ester)
53912-01-9 structure
Product Name:Benzoic acid, 4-benzoyl-, propyl ester
CAS No:53912-01-9
MF:C17H16O3
MW:268.307145118713
CID:356089
PubChem ID:53832472
Update Time:2025-04-19
Benzoic acid, 4-benzoyl-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-benzoyl-, propyl ester
- propyl 4-benzoylbenzoate
- SCHEMBL4736146
- DTXSID20706996
- GDKOOKMXYVFJLF-UHFFFAOYSA-N
- 53912-01-9
- n-propyl-p-benzoylbenzoate
-
- Inchi： 1S/C17H16O3/c1-2-12-20-17(19)15-10-8-14(9-11-15)16(18)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
- InChI Key： GDKOOKMXYVFJLF-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)C(C1C=CC=CC=1)=O)=O)CCC
Computed Properties
- Exact Mass: 268.10998
- Monoisotopic Mass: 268.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 323
- 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: 4.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 4-benzoyl-, propyl ester Related Literature
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
53912-01-9 (Benzoic acid, 4-benzoyl-, propyl ester) Related Products
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