521-88-0
KARANJIN
Name
KARANJIN
Formula
C18 H12 O4
MolWeight
292.289
1Identification
【Name】
KARANJIN
【CAS】
【MDL】
MFCD00017406
【English Synonyms】
【Formula】
C18 H12 O4
【MolWeight】
292.289
【Inchi】
InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3
【InChIKey】
InChIKey=LKPQNZRGGNOPPU-UHFFFAOYSA-N
【SMILES】
COc1c(=O)c2ccc3c(c2oc1c4ccccc4)cco3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
KARANJIN.cml
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