477-83-8
3-HYDROXY-2-(HYDROXYMETHYL)-1-METHOXYANTHRACENE-9,10-DIONE
Name3-HYDROXY-2-(HYDROXYMETHYL)-1-METHOXYANTHRACENE-9,10-DIONE
1Identification
【Name】
3-HYDROXY-2-(HYDROXYMETHYL)-1-METHOXYANTHRACENE-9,10-DIONE
【CAS】
【MDL】
MFCD02752335
【English Synonyms】
【Formula】
C16 H12 O5
【MolWeight】
284.266
【Inchi】
InChI=1S/C16H12O5/c1-21-16-11(7-17)12(18)6-10-13(16)15(20)9-5-3-2-4-8(9)14(10)19/h2-6,17-18H,7H2,1H3
【InChIKey】
InChIKey=ASFZQCLAQPBWDN-UHFFFAOYSA-N
【SMILES】
COc1c(c(cc2c1C(=O)c3ccccc3C2=O)O)CO
【MOL File】
3-HYDROXY-2-(HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-2-(HYDROXYMETHYL)-1-METHOXYANTHRACENE-9,10-DIONE.cml