5349-99-5
TRIETHYL ACONITATE
Name
TRIETHYL ACONITATE
Formula
C12 H18 O6
MolWeight
258.268
1Identification
【Name】
TRIETHYL ACONITATE
【CAS】
【MDL】
MFCD00026913
【English Synonyms】
【Formula】
C12 H18 O6
【MolWeight】
258.268
【Inchi】
InChI=1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3/b9-7+
【InChIKey】
InChIKey=IDDWGDKSBYYEPL-VQHVLOKHSA-N
【SMILES】
CCOC(=O)C/C(=C\C(=O)OCC)/C(=O)OCC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRIETHYL ACONITATE.cml
Quick Release
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