Cas no 403477-23-6 (Propyl 4-benzoyloxybenzoate)
Propyl 4-benzoyloxybenzoate structure
Product Name:Propyl 4-benzoyloxybenzoate
CAS No:403477-23-6
MF:C17H16O4
MW:284.306545257568
CID:2826104
PubChem ID:4941835
Update Time:2025-04-21
Propyl 4-benzoyloxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL8208952
- DTXSID50406871
- AKOS003451302
- 403477-23-6
- Propyl 4-benzoyloxybenzoate
-
- Inchi： 1S/C17H16O4/c1-2-12-20-16(18)14-8-10-15(11-9-14)21-17(19)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
- InChI Key： CHGCLEZHDRWBLZ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)OC(C1C=CC=CC=1)=O)=O)CCC
Computed Properties
- Exact Mass: 284.10485899g/mol
- Monoisotopic Mass: 284.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 339
- 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: 52.6?2
Propyl 4-benzoyloxybenzoate Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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