Cas no 89913-72-4 (2-Thiopheneacetic acid, 5-(9-chloro-1-oxononyl)-, methyl ester)
89913-72-4 structure
Product Name:2-Thiopheneacetic acid, 5-(9-chloro-1-oxononyl)-, methyl ester
CAS No:89913-72-4
MF:C16H23ClO3S
MW:330.870023012161
CID:585367
PubChem ID:4323823
Update Time:2025-04-19
2-Thiopheneacetic acid, 5-(9-chloro-1-oxononyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiopheneacetic acid, 5-(9-chloro-1-oxononyl)-, methyl ester
- methyl 2-[5-(9-chlorononanoyl)thiophen-2-yl]acetate
- AKOS024273953
- DTXSID40401936
- ST002168
- 89913-72-4
-
- Inchi： 1S/C16H23ClO3S/c1-20-16(19)12-13-9-10-15(21-13)14(18)8-6-4-2-3-5-7-11-17/h9-10H,2-8,11-12H2,1H3
- InChI Key： KGPJQCKEBUYCDN-UHFFFAOYSA-N
- SMILES： ClCCCCCCCCC(C1=CC=C(CC(=O)OC)S1)=O
Computed Properties
- Exact Mass: 330.1056435g/mol
- Monoisotopic Mass: 330.1056435g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 323
- 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: 4.7
- Topological Polar Surface Area: 71.6?2
2-Thiopheneacetic acid, 5-(9-chloro-1-oxononyl)-, methyl ester Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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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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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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