Cas no 2892-54-8 (3-Butenoic acid,2,3,4,4-tetrachloro-)
2892-54-8 structure
Product Name:3-Butenoic acid,2,3,4,4-tetrachloro-
CAS No:2892-54-8
MF:C4H2Cl4O2
MW:223.869477748871
CID:264679
PubChem ID:3014142
Update Time:2025-04-19
3-Butenoic acid,2,3,4,4-tetrachloro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Butenoic acid,2,3,4,4-tetrachloro-
- 2,3,4,4-tetrachlorobut-3-enoic acid
- DTXSID80951546
- SCHEMBL10593414
- 3-Butenoic acid, 2,3,4,4-tetrachloro-
- 1,1,2,3-tetrachlorobutenoic acid
- 2,3,4,4-tetrachloro-3-butenoic acid
- 2892-54-8
-
- Inchi： 1S/C4H2Cl4O2/c5-1(3(7)8)2(6)4(9)10/h2H,(H,9,10)
- InChI Key： LJVPOYAGTBUSJW-UHFFFAOYSA-N
- SMILES： ClC(C(=O)O)/C(=C(\Cl)/Cl)/Cl
Computed Properties
- Exact Mass: 221.88106
- Monoisotopic Mass: 221.880890g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Butenoic acid,2,3,4,4-tetrachloro- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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