Cas no 90279-95-1 (Butanoic acid, 2-(butoxymethylene)-3-oxo-, ethyl ester)
90279-95-1 structure
Product Name:Butanoic acid, 2-(butoxymethylene)-3-oxo-, ethyl ester
CAS No:90279-95-1
MF:C11H18O4
MW:214.258224010468
CID:790259
PubChem ID:71429406
Update Time:2025-04-19
Butanoic acid, 2-(butoxymethylene)-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-(butoxymethylene)-3-oxo-, ethyl ester
- ethyl 2-(butoxymethylidene)-3-oxobutanoate
- DTXSID90848094
- 90279-95-1
- SCHEMBL11111333
-
- Inchi： 1S/C11H18O4/c1-4-6-7-14-8-10(9(3)12)11(13)15-5-2/h8H,4-7H2,1-3H3
- InChI Key： ROWAYRMNXWRGEB-UHFFFAOYSA-N
- SMILES： O(C=C(C(C)=O)C(=O)OCC)CCCC
Computed Properties
- Exact Mass: 214.12050905g/mol
- Monoisotopic Mass: 214.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.8
- Topological Polar Surface Area: 52.6?2
Butanoic acid, 2-(butoxymethylene)-3-oxo-, ethyl ester Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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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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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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