Cas no 61340-17-8 (Benzoic acid, 2-(acetyloxy)-5-(phenylmethoxy)-)
61340-17-8 structure
Product Name:Benzoic acid, 2-(acetyloxy)-5-(phenylmethoxy)-
CAS No:61340-17-8
MF:C16H14O5
MW:286.279365062714
CID:483341
PubChem ID:71396804
Update Time:2025-04-19
Benzoic acid, 2-(acetyloxy)-5-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-(acetyloxy)-5-(phenylmethoxy)-
- 2-acetyloxy-5-phenylmethoxybenzoic acid
- DTXSID40818343
- 2-(Acetyloxy)-5-(benzyloxy)benzoic acid
- 61340-17-8
-
- Inchi： 1S/C16H14O5/c1-11(17)21-15-8-7-13(9-14(15)16(18)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
- InChI Key： ABSKHIAMAMUORZ-UHFFFAOYSA-N
- SMILES： O(C1=CC=C(C(C(=O)O)=C1)OC(C)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 286.08412
- Monoisotopic Mass: 286.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 362
- 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: 2.7
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
Benzoic acid, 2-(acetyloxy)-5-(phenylmethoxy)- Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
61340-17-8 (Benzoic acid, 2-(acetyloxy)-5-(phenylmethoxy)-) Related Products
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- 606-45-1(Methyl 2-methoxybenzoate)
- 2065-27-2(Methyl 2,6-dimethoxybenzoate)
- 3686-55-3(Methyl 2-ethoxybenzoate)
- 118-55-8(Phenyl salicylate)
- 50-78-2(Aspirin)
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