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87242-92-0
[1-(4-METHOXY-BENZYLSULFANYL)-CYCLOHEXYL]-ACETIC ACID
Name
[1-(4-METHOXY-BENZYLSULFANYL)-CYCLOHEXYL]-ACETIC ACID
Formula
C16 H22 O3 S
MolWeight
294.413
1Identification
【Name】
[1-(4-METHOXY-BENZYLSULFANYL)-CYCLOHEXYL]-ACETIC ACID
【CAS】
【MDL】
MFCD00153490
【English Synonyms】
【Formula】
C16 H22 O3 S
【MolWeight】
294.413
【Inchi】
InChI=1S/C16H22O3S/c1-19-14-7-5-13(6-8-14)12-20-16(11-15(17)18)9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3,(H,17,18)
【InChIKey】
InChIKey=BGXNGARHYXNGPK-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)CSC2(CCCCC2)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
Chem-Impex International, Inc. :[1-(4-METHOXY-BENZYLSULFANYL)-CYCLOHEXYL]-ACETIC ACID
4CML File
[1-(4-METHOXY-BENZYLSULFANYL)-CYCLOHEXYL]-ACETIC ACID.cml
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