Cas no 89605-12-9 (Butanoic acid, 4-chloro-3-oxo-, 2-propenyl ester)
89605-12-9 structure
Product Name:Butanoic acid, 4-chloro-3-oxo-, 2-propenyl ester
CAS No:89605-12-9
MF:C7H9ClO3
MW:176.597561597824
CID:595220
PubChem ID:13826568
Update Time:2025-04-19
Butanoic acid, 4-chloro-3-oxo-, 2-propenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-chloro-3-oxo-, 2-propenyl ester
- prop-2-enyl 4-chloro-3-oxobutanoate
- 89605-12-9
- allyl 4-chloroacetoacetate
- RKKOBITWQBBTDH-UHFFFAOYSA-N
- SCHEMBL1933921
- DTXSID40550559
- allyl 4-chloro-acetoacetate
- Prop-2-en-1-yl 4-chloro-3-oxobutanoate
-
- Inchi： 1S/C7H9ClO3/c1-2-3-11-7(10)4-6(9)5-8/h2H,1,3-5H2
- InChI Key： RKKOBITWQBBTDH-UHFFFAOYSA-N
- SMILES： ClCC(CC(=O)OCC=C)=O
Computed Properties
- Exact Mass: 176.0240218g/mol
- Monoisotopic Mass: 176.0240218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 165
- 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: 1.2
- Topological Polar Surface Area: 43.4?2
Butanoic acid, 4-chloro-3-oxo-, 2-propenyl ester Related Literature
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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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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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