744242-85-1
(4-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]PHENYL)ACETIC ACID
Name(4-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]PHENYL)ACETIC ACID
1Identification
【Name】
(4-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]PHENYL)ACETIC ACID
【CAS】
【MDL】
MFCD05267698
【English Synonyms】
【Formula】
C14 H15 N O4
【MolWeight】
261.276
【Inchi】
InChI=1S/C14H15NO4/c1-9-13(10(2)19-15-9)8-18-12-5-3-11(4-6-12)7-14(16)17/h3-6H,7-8H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=QTWBJTKURXHFOS-UHFFFAOYSA-N
【SMILES】
Cc1c(c(on1)C)COc2ccc(cc2)CC(=O)O
【MOL File】
(4-[(3,5-DIMETHYLISO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]PHENYL)ACETIC ACID.cml