524-12-9
WEDELOLACTONE
Name
WEDELOLACTONE
Formula
C16 H10 O7
MolWeight
314.248
1Identification
【Name】
WEDELOLACTONE
【CAS】
【MDL】
MFCD07778564
【English Synonyms】
【Formula】
C16 H10 O7
【MolWeight】
314.248
【Inchi】
InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
【InChIKey】
InChIKey=XQDCKJKKMFWXGB-UHFFFAOYSA-N
【SMILES】
COc1cc(c2c(c1)oc(=O)c3c2oc4c3cc(c(c4)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:1.0
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
WEDELOLACTONE.cml
Quick Release
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