InChI=1S/C60H60O12/c1-31-13-43-25-45-15-32(2)17-47(56(45)68-38(8)62)27-49-19-34(4)21-51(58(49)70-40(10)64)29-53-23-36(6)24-54(60(53)72-42(12)66)30-52-22-35(5)20-50(59(52)71-41(11)65)28-48-18-33(3)16-46(57(48)69-39(9)63)26-44(14-31)55(43)67-37(7)61/h13-24H,25-30H2,1-12H3

【InChIKey】

InChIKey=WOWRSSJEXBSVJD-UHFFFAOYSA-N

【SMILES】

Cc1cc2c(c(c1)Cc3cc(cc(c3OC(=O)C)Cc4cc(cc(c4OC(=O)C)Cc5cc(cc(c5OC(=O)C)Cc6cc(cc(c6OC(=O)C)Cc7cc(cc(c7OC(=O)C)C2)C)C)C)C)C)OC(=O)C

【MOL File】

4-METHYL-1-ACETOXYCA….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:12

XLogP3:13.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

TCI (Shanghai) Development Co., Ltd. :4-METHYL-1-ACETOXYCALIX[6]ARENE

4CML File

4-METHYL-1-ACETOXYCALIX[6]ARENE.cml

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141137-71-5 4-METHYL-1-ACETOXYCALIX[6]ARENE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】