54232-59-6
9-OXO-10(E),12(Z)-OCTADECADIENOIC ACID
Name
9-OXO-10(E),12(Z)-OCTADECADIENOIC ACID
Formula
C18 H30 O3
MolWeight
294.432
1Identification
【Name】
9-OXO-10(E),12(Z)-OCTADECADIENOIC ACID
【CAS】
【MDL】
MFCD00216127
【English Synonyms】
【Formula】
C18 H30 O3
【MolWeight】
294.432
【Inchi】
InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
【InChIKey】
InChIKey=LUZSWWYKKLTDHU-ZJHFMPGASA-N
【SMILES】
CCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-OXO-10(E),12(Z)-OCTADECADIENOIC ACID.cml
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