500533-92-6
2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-CYCLOHEXANECARBOXYLIC ACID
Name2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-CYCLOHEXANECARBOXYLIC ACID
1Identification
【Name】
2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-CYCLOHEXANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD00086372
【English Synonyms】
【Formula】
C20 H18 O5
【MolWeight】
338.357
【Inchi】
InChI=1S/C20H18O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h5-10,13-14,21H,1-4H2,(H,23,24)
【InChIKey】
InChIKey=HXOZFLYYEKBTMP-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1O)oc-3cc(=O)ccc3c2C4CCCCC4C(=O)O
【MOL File】
2-(6-HYDROXY-3-OXO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-CYCLOHEXANECARBOXYLIC ACID.cml