56496-01-6
6-ETHYL-5-HYDROXY-7-METHOXY-1,4-NAPHTHOQUINONE
Name6-ETHYL-5-HYDROXY-7-METHOXY-1,4-NAPHTHOQUINONE
1Identification
【Name】
6-ETHYL-5-HYDROXY-7-METHOXY-1,4-NAPHTHOQUINONE
【CAS】
【MDL】
MFCD18448491
【English Synonyms】
【Formula】
C13 H12 O4
【MolWeight】
232.234
【Inchi】
InChI=1S/C13H12O4/c1-3-7-11(17-2)6-8-9(14)4-5-10(15)12(8)13(7)16/h4-6,16H,3H2,1-2H3
【InChIKey】
InChIKey=DRBHVMCDGVLNGY-UHFFFAOYSA-N
【SMILES】
CCc1c(cc2c(c1O)C(=O)C=CC2=O)OC
【MOL File】
6-ETHYL-5-HYDROXY-7-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-ETHYL-5-HYDROXY-7-METHOXY-1,4-NAPHTHOQUINONE.cml