50624-06-1
3,4-DIHYDROXY-7,8,9,10-TETRAHYDRO-6H-BENZO[C]CHROMEN-6-ONE
Name3,4-DIHYDROXY-7,8,9,10-TETRAHYDRO-6H-BENZO[C]CHROMEN-6-ONE
1Identification
【Name】
3,4-DIHYDROXY-7,8,9,10-TETRAHYDRO-6H-BENZO[C]CHROMEN-6-ONE
【CAS】
【MDL】
MFCD00229561
【English Synonyms】
【Formula】
C13 H12 O4
【MolWeight】
232.234
【Inchi】
InChI=1S/C13H12O4/c14-10-6-5-8-7-3-1-2-4-9(7)13(16)17-12(8)11(10)15/h5-6,14-15H,1-4H2
【InChIKey】
InChIKey=MXBLPWAUEWFCJU-UHFFFAOYSA-N
【SMILES】
c1cc(c(c2c1c3c(c(=O)o2)CCCC3)O)O
【MOL File】
3,4-DIHYDROXY-7,8,9,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4-DIHYDROXY-7,8,9,10-TETRAHYDRO-6H-BENZO[C]CHROMEN-6-ONE.cml