Cas no 123368-72-9 (2-Hexynoic acid,6-hydroxy-, methyl ester)
123368-72-9 structure
Product Name:2-Hexynoic acid,6-hydroxy-, methyl ester
CAS No:123368-72-9
MF:C7H10O3
MW:142.152502536774
CID:104167
PubChem ID:11815462
Update Time:2025-04-18
2-Hexynoic acid,6-hydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexynoic acid,6-hydroxy-, methyl ester
- METHYL 6-HYDROXY-2-HEXYNOATE
- methyl 6-hydroxyhex-2-ynoate
- 6-Hydroxy-2-hexynoicacid methyl ester
- 6-Hydroxyhex-2-insaeuremethylester
- 6-hydroxy-hex-2-ynoic acid methyl ester
- 123368-72-9
- AKOS006276629
- METHYL6-HYDROXY-2-HEXYNOATE
- FT-0693576
- DTXSID20473393
-
- Inchi： 1S/C7H10O3/c1-10-7(9)5-3-2-4-6-8/h8H,2,4,6H2,1H3
- InChI Key： UUJLWAJNAHDVMB-UHFFFAOYSA-N
- SMILES： OCCCC#CC(=O)OC
Computed Properties
- Exact Mass: 142.06300
- Monoisotopic Mass: 142.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 160
- 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: 0.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: -0.06470
2-Hexynoic acid,6-hydroxy-, methyl ester Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
123368-72-9 (2-Hexynoic acid,6-hydroxy-, methyl ester) Related Products
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