137988-05-7
4-(7-HYDROXY-4-OXO-4H-CHROMEN-3-YLOXY)-BENZOIC ACID METHYL ESTER
Name4-(7-HYDROXY-4-OXO-4H-CHROMEN-3-YLOXY)-BENZOIC ACID METHYL ESTER
1Identification
【Name】
4-(7-HYDROXY-4-OXO-4H-CHROMEN-3-YLOXY)-BENZOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD00596510
【English Synonyms】
【Formula】
C17 H12 O6
【MolWeight】
312.276
【Inchi】
InChI=1S/C17H12O6/c1-21-17(20)10-2-5-12(6-3-10)23-15-9-22-14-8-11(18)4-7-13(14)16(15)19/h2-9,18H,1H3
【InChIKey】
InChIKey=AOEGZILUCAJRCF-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccc(cc1)Oc2coc3cc(ccc3c2=O)O
【MOL File】
4-(7-HYDROXY-4-OXO-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(7-HYDROXY-4-OXO-4H-CHROMEN-3-YLOXY)-BENZOIC ACID METHYL ESTER.cml