114587-60-9
N-(3-HYDROXY-9H-XANTHENYL)-O-(9H-FLUOREN-9-YL)METHYLCARBAMIC ACID
NameN-(3-HYDROXY-9H-XANTHENYL)-O-(9H-FLUOREN-9-YL)METHYLCARBAMIC ACID
1Identification
【Name】
N-(3-HYDROXY-9H-XANTHENYL)-O-(9H-FLUOREN-9-YL)METHYLCARBAMIC ACID
【CAS】
【MDL】
MFCD17013313
【English Synonyms】
【Formula】
C28 H21 N O4
【MolWeight】
435.477
【Inchi】
InChI=1S/C28H21NO4/c30-18-14-25(23-13-17-7-1-6-12-26(17)33-27(23)15-18)29-28(31)32-16-24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,14-15,24,30H,13,16H2,(H,29,31)
【InChIKey】
InChIKey=KTVNGWLKVFNYKA-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)Cc3c(cc(cc3O2)O)NC(=O)OCC4c5ccccc5-c6c4cccc6
【MOL File】
N-(3-HYDROXY-9H-XANT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-HYDROXY-9H-XANTHENYL)-O-(9H-FLUOREN-9-YL)METHYLCARBAMIC ACID.cml