Cas no 252651-85-7 (2-Oxiranecarboxylicacid, 2-methyl-, 1,1-dimethylethyl ester, (2S)-)
252651-85-7 structure
Product Name:2-Oxiranecarboxylicacid, 2-methyl-, 1,1-dimethylethyl ester, (2S)-
CAS No:252651-85-7
MF:C8H14O3
MW:158.194962978363
CID:246546
Update Time:2024-01-26
2-Oxiranecarboxylicacid, 2-methyl-, 1,1-dimethylethyl ester, (2S)- Chemical and Physical Properties
Names and Identifiers
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- 2-Oxiranecarboxylicacid, 2-methyl-, 1,1-dimethylethyl ester, (2S)-
- Oxiranecarboxylicacid, 2-methyl-, 1,1-dimethylethyl ester, (2S)- (9CI)
- Oxiranecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (2S)- (9CI)
- 2-Oxiranecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (2S)-
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- Inchi： 1S/C8H14O3/c1-7(2,3)11-6(9)8(4)5-10-8/h5H2,1-4H3/t8-/m0/s1
- InChI Key： HMAGZHPJACHPDG-QMMMGPOBSA-N
- SMILES： O1C[C@@]1(C)C(OC(C)(C)C)=O
Computed Properties
- Exact Mass: 158.094
- Monoisotopic Mass: 158.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 180
- 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
- Topological Polar Surface Area: 38.8A^2
2-Oxiranecarboxylicacid, 2-methyl-, 1,1-dimethylethyl ester, (2S)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jason Wan Lab Chip, 2020,20, 4528-4538
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