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84-79-7
LAPACHOL
Name
LAPACHOL
Formula
C15H14O3
MolWeight
242.273
1Identification
【Name】
LAPACHOL
【CAS】
【MDL】
MFCD00001679
【English Synonyms】
【Formula】
C15H14O3
【MolWeight】
242.273
【Inchi】
InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3
【InChIKey】
InChIKey=CIEYTVIYYGTCCI-UHFFFAOYSA-N
【SMILES】
CC(C)=CCC1=C(O)C(=O)C2=CC=CC=C2C1=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.13
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
LAPACHOL.cml
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