2-[3-(1,3-benzodioxol-5-yl)propylsulfanyl]acetic acid structure
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Common Name | 2-[3-(1,3-benzodioxol-5-yl)propylsulfanyl]acetic acid | ||
|---|---|---|---|---|
| CAS Number | 86808-79-9 | Molecular Weight | 254.30200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H14O4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 2-[3-(1,3-benzodioxol-5-yl)propylsulfanyl]acetic acid |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.30200 |
| Exact Mass | 254.06100 |
| PSA | 81.06000 |
| LogP | 2.16570 |
| InChIKey | NNGGSKJDMSCBPH-UHFFFAOYSA-N |
| SMILES | O=C(O)CSCCCc1ccc2c(c1)OCO2 |
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2-[3-(1,3-benzo... CAS#:86808-79-9 |
| Literature: Prill; Hartzell; Arthur Contributions from Boyce Thompson Institute, 1946 , vol. 14, p. 130 Chem.Abstr., 1946 , p. 4839 |
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| Acetic acid,[[3-(1,3-benzodioxol-5-yl)propyl]thio] |
| (3-benzo[1,3]dioxol-5-yl-propylmercapto)-acetic acid |
| (3-Benzo[1,3]dioxol-5-yl-propylmercapto)-essigsaeure |