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| CAS No.: | 862273-27-6 |
|---|---|
| Name: | 4-methylbenzenesulfonate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H11NO2.C7H8O3S |
| Molecular Weight: | 313.375 |
| Synonyms: | (1R,2S)-1-(Methoxycarbonyl)-2-vinylcyclopropanaMiniuM 4-Methylbenzenesulfonate;methyl (1R,2S)-1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate; |
| PSA: | 65.58000 |
| LogP: | 1.97990 |
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Specification
The (1R,2S)-Methyl 1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate, with the CAS registry number 862273-27-6, is also known as Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, (1R,2S)-, 4-methylbenzenesulfonate (1:1). This chemical's molecular formula is C7H11NO2.C7H8O3S and molecular weight is 313.37. What's more, its systematic name is Methyl (1R,2S)-1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonate (1:1).
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)O.COC(=O)[C@]1(C[C@H]1C=C)N
(2)Std. InChI: InChI=1S/C7H11NO2.C7H8O3S/c1-3-5-4-7(5,8)6(9)10-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,5H,1,4,8H2,2H3;2-5H,1H3,(H,8,9,10)/t5-,7-;/m1./s1
(3)Std. InChIKey: IUHJYIOSAPJUMG-HCSZTWNASA-N