55699-10-0
4-TERT-BUTYL-3-HYDROXY-2,6-XYLYLACETONITRILE
Name
4-TERT-BUTYL-3-HYDROXY-2,6-XYLYLACETONITRILE
Formula
C14 H19 N O
MolWeight
217.31
1Identification
【Name】
4-TERT-BUTYL-3-HYDROXY-2,6-XYLYLACETONITRILE
【CAS】
【MDL】
MFCD11707218
【English Synonyms】
【Formula】
C14 H19 N O
【MolWeight】
217.31
【Inchi】
InChI=1S/C14H19NO/c1-9-8-12(14(3,4)5)13(16)10(2)11(9)6-7-15/h8,16H,6H2,1-5H3
【InChIKey】
InChIKey=OUKJZHRCKQJXSU-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1CC#N)C)O)C(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-TERT-BUTYL-3-HYDROXY-2,6-XYLYLACETONITRILE.cml
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