Cas no 5468-86-0 (Benzeneacetic acid, a,a-diformyl-, ethyl ester)
5468-86-0 structure
Product Name:Benzeneacetic acid, a,a-diformyl-, ethyl ester
CAS No:5468-86-0
MF:C12H12O4
MW:220.221283912659
CID:384891
PubChem ID:225681
Update Time:2025-04-19
Benzeneacetic acid, a,a-diformyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a,a-diformyl-, ethyl ester
- ethyl 2-formyl-3-oxo-2-phenylpropanoate
- AC1L5E7N
- AC1Q63WC
- AG-J-25090
- AR-1I8449
- CTK5A2282
- NSC15297
- NSC-15297
- DTXSID30280070
- NSC 15297
- 5468-86-0
-
- Inchi： 1S/C12H12O4/c1-2-16-11(15)12(8-13,9-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3
- InChI Key： BKEYDPIYDDXNQY-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C=O)(C=O)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 220.07356
- Monoisotopic Mass: 220.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 258
- 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: 1.3
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Benzeneacetic acid, a,a-diformyl-, ethyl ester Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
4. 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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Andrew P. Abbott,Robert C. Harris,Karl S. Ryder,I-Wen Sun Phys. Chem. Chem. Phys., 2014,16, 14675-14681
5468-86-0 (Benzeneacetic acid, a,a-diformyl-, ethyl ester) Related Products
- 2901-13-5(Ethyl Dimethylphenylacetate)
- 111170-56-0(Benzeneacetic acid, a-methyl-, ethyl ester, (aR)-)
- 17838-69-6(Ethyl 3-oxo-2-Phenylpropanoate)
- 3468-99-3(Ethyl diphenylacetate)
- 14510-36-2(Acetyltropic Acid)
- 2510-99-8(2-Phenylpropionic Acid Ethyl Ester)
- 83-13-6(Diethyl phenylmalonate)
- 57625-74-8(Methyl Dimethylbenzeneacetate)
- 3967-53-1(methyl 3-hydroxy-2-phenylpropanoate)
- 17097-90-4(3-Ethoxy-3-oxo-2-phenylpropanoic acid)
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