Cas no 89897-93-8 (1-Cyclobutene-1-carboxylic acid, 3-ethyl- (7CI,9CI))
89897-93-8 structure
Product Name:1-Cyclobutene-1-carboxylic acid, 3-ethyl- (7CI,9CI)
CAS No:89897-93-8
MF:C7H10O2
MW:126.153102397919
CID:712454
PubChem ID:14693478
Update Time:2025-04-19
1-Cyclobutene-1-carboxylic acid, 3-ethyl- (7CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclobutene-1-carboxylic acid, 3-ethyl- (7CI,9CI)
- 1-Cyclobutene-1-carboxylicacid, 3-ethyl-
- 3-ethylcyclobutene-1-carboxylic acid
- AKOS006375536
- 3-Ethylcyclobut-1-ene-1-carboxylic acid
- 89897-93-8
- DTXSID40563088
-
- Inchi： 1S/C7H10O2/c1-2-5-3-6(4-5)7(8)9/h3,5H,2,4H2,1H3,(H,8,9)
- InChI Key： SGNJQXXBFHTBMS-UHFFFAOYSA-N
- SMILES： OC(C1=CC(CC)C1)=O
Computed Properties
- Exact Mass: 126.068079557g/mol
- Monoisotopic Mass: 126.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 158
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.5
- Topological Polar Surface Area: 37.3?2
1-Cyclobutene-1-carboxylic acid, 3-ethyl- (7CI,9CI) Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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