Cas no 635702-39-5 (Methyl 4-{[(2S)-butan-2-yl]oxy}benzoate)
![Methyl 4-{[(2S)-butan-2-yl]oxy}benzoate structure](https://ossimg.kuujia.com/scimg/636000/635702-39-5x500.png)
635702-39-5 structure
Product Name:Methyl 4-{[(2S)-butan-2-yl]oxy}benzoate
CAS No:635702-39-5
MF:C12H16O3
MW:208.253643989563
CID:2850993
PubChem ID:18446984
Update Time:2025-04-21
Methyl 4-{[(2S)-butan-2-yl]oxy}benzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-(2-(S)-butoxy)benzoate
- 635702-39-5
- HSFOKEFAEWVYQS-VIFPVBQESA-N
- SCHEMBL4686240
- Methyl 4-{[(2S)-butan-2-yl]oxy}benzoate
- DTXSID60593882
-
- Inchi： 1S/C12H16O3/c1-4-9(2)15-11-7-5-10(6-8-11)12(13)14-3/h5-9H,4H2,1-3H3/t9-/m0/s1
- InChI Key： HSFOKEFAEWVYQS-VIFPVBQESA-N
- SMILES： O(C1C=CC(C(=O)OC)=CC=1)[C@@H](C)CC
Computed Properties
- Exact Mass: 208.109944368Da
- Monoisotopic Mass: 208.109944368Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 35.5?2
Methyl 4-{[(2S)-butan-2-yl]oxy}benzoate Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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